 Entering Gaussian System, Link 0=g16
 Input=14_bornylOAc_STD_B3LYPDBJ-def2SVPDr.in
 Output=14_bornylOAc_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/14_bornylOAc_STD/Gau-12873.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/14_bornylOAc_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     12877.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=14_bornylOAc_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "14_bornylOAc_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.240639000000     -1.220521000000     -1.593952000000
  C                                                -0.772379000000     -1.711714000000     -0.196556000000
  C                                                -1.356487000000      0.301932000000     -1.398559000000
  C                                                 0.077396000000      0.849484000000     -1.275021000000
  C                                                 0.495406000000      0.398364000000      0.144405000000
  C                                                -0.704790000000     -0.420476000000      0.653009000000
  H                                                -2.195583000000     -1.663465000000     -1.875848000000
  H                                                -0.528201000000     -1.466626000000     -2.381766000000
  H                                                 0.193323000000     -2.210778000000     -0.227221000000
  H                                                -1.481233000000     -2.413249000000      0.242895000000
  C                                                -1.888350000000      0.419572000000      0.056917000000
  H                                                -1.959508000000      0.805110000000     -2.154682000000
  H                                                 0.128882000000      1.932113000000     -1.369936000000
  H                                                 0.741881000000      0.427523000000     -2.028774000000
  H                                                 0.689863000000      1.251037000000      0.790022000000
  O                                                 1.689332000000     -0.414672000000      0.164040000000
  C                                                -0.691646000000     -0.656663000000      2.148773000000
  C                                                -3.263934000000     -0.215407000000      0.272245000000
  C                                                -1.976808000000      1.860613000000      0.570939000000
  H                                                 0.188258000000     -1.234779000000      2.438218000000
  H                                                -1.573690000000     -1.214726000000      2.468040000000
  H                                                -0.666490000000      0.284659000000      2.701973000000
  H                                                -3.312198000000     -1.262484000000     -0.016360000000
  H                                                -4.016543000000      0.322861000000     -0.308315000000
  H                                                -3.555175000000     -0.148366000000      1.322428000000
  H                                                -1.062281000000      2.434735000000      0.442068000000
  H                                                -2.228382000000      1.873406000000      1.633417000000
  H                                                -2.771733000000      2.392658000000      0.043778000000
  C                                                 2.862479000000      0.235712000000      0.052007000000
  C                                                 4.017566000000     -0.727490000000      0.101407000000
  O                                                 2.958317000000      1.430494000000     -0.072931000000
  H                                                 3.985571000000     -1.302060000000      1.027842000000
  H                                                 4.952347000000     -0.178454000000      0.034385000000
  H                                                 3.942814000000     -1.436137000000     -0.724719000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     34 NQM=       34 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1          16          12          12          12           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           1           1           1           1           0           0           0           0           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12          12
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000
 NucSpn=           1           1           1           1           1           1           1           1           0           0
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000

  Atom        31          32          33          34
 IAtWgt=          16           1           1           1
 AtmWgt=  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1
 AtZEff=   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   8.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.240639   -1.220521   -1.593952
      2          6           0       -0.772379   -1.711714   -0.196556
      3          6           0       -1.356487    0.301932   -1.398559
      4          6           0        0.077396    0.849484   -1.275021
      5          6           0        0.495406    0.398364    0.144405
      6          6           0       -0.704790   -0.420476    0.653009
      7          1           0       -2.195583   -1.663465   -1.875848
      8          1           0       -0.528201   -1.466626   -2.381766
      9          1           0        0.193323   -2.210778   -0.227221
     10          1           0       -1.481233   -2.413249    0.242895
     11          6           0       -1.888350    0.419572    0.056917
     12          1           0       -1.959508    0.805110   -2.154682
     13          1           0        0.128882    1.932113   -1.369936
     14          1           0        0.741881    0.427523   -2.028774
     15          1           0        0.689863    1.251037    0.790022
     16          8           0        1.689332   -0.414672    0.164040
     17          6           0       -0.691646   -0.656663    2.148773
     18          6           0       -3.263934   -0.215407    0.272245
     19          6           0       -1.976808    1.860613    0.570939
     20          1           0        0.188258   -1.234779    2.438218
     21          1           0       -1.573690   -1.214726    2.468040
     22          1           0       -0.666490    0.284659    2.701973
     23          1           0       -3.312198   -1.262484   -0.016360
     24          1           0       -4.016543    0.322861   -0.308315
     25          1           0       -3.555175   -0.148366    1.322428
     26          1           0       -1.062281    2.434735    0.442068
     27          1           0       -2.228382    1.873406    1.633417
     28          1           0       -2.771733    2.392658    0.043778
     29          6           0        2.862479    0.235712    0.052007
     30          6           0        4.017566   -0.727490    0.101407
     31          8           0        2.958317    1.430494   -0.072931
     32          1           0        3.985571   -1.302060    1.027842
     33          1           0        4.952347   -0.178454    0.034385
     34          1           0        3.942814   -1.436137   -0.724719
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.553465   0.000000
     3  C    1.539306   2.416767   0.000000
     4  C    2.474642   2.906018   1.539836   0.000000
     5  C    2.942197   2.485148   2.412373   1.546936   0.000000
     6  C    2.444594   1.547134   2.270576   2.437604   1.539366
     7  H    1.089763   2.201785   2.189674   3.441270   3.946389
     8  H    1.090315   2.212427   2.186447   2.637423   3.302650
     9  H    2.214680   1.087468   3.176107   3.236746   2.652731
    10  H    2.203291   1.089836   3.175239   3.921584   3.438309
    11  C    2.415534   2.419095   1.554068   2.413098   2.385455
    12  H    2.221345   3.402637   1.090204   2.219178   3.387897
    13  H    3.444542   3.932756   2.205591   1.088001   2.186311
    14  H    2.614480   3.197865   2.194560   1.089833   2.187306
    15  H    3.939387   3.448098   3.142966   2.191064   1.087054
    16  O    3.510649   2.805774   3.497463   2.503463   1.444601
    17  C    3.824568   2.572979   3.734231   3.818674   2.557277
    18  C    2.930302   2.943901   2.587968   3.833081   3.811259
    19  C    3.836937   3.847235   2.587123   2.941038   2.903781
    20  H    4.277890   2.844701   4.412321   4.259646   2.832503
    21  H    4.075627   2.826512   4.159088   4.582309   3.504639
    22  H    4.588048   3.521106   4.158216   4.085202   2.811420
    23  H    2.604211   2.585529   2.860538   4.187360   4.157176
    24  H    3.426446   3.831003   2.874886   4.239362   4.535233
    25  H    3.874515   3.534872   3.527147   4.575808   4.253688
    26  H    4.187850   4.205345   2.832545   2.600054   2.581046
    27  H    4.578639   4.280401   3.524572   3.850200   3.436848
    28  H    4.252231   4.571766   2.907644   3.498307   3.829038
    29  C    4.654608   4.131155   4.461861   3.145538   2.374453
    30  C    5.546714   4.899087   5.673628   4.461652   3.697973
    31  O    5.193517   4.879226   4.652792   3.175264   2.679264
    32  H    5.847540   4.930016   6.082581   5.020573   3.981602
    33  H    6.487716   5.930996   6.487333   5.151344   4.495458
    34  H    5.260251   4.752678   5.617609   4.524196   4.000674
                    6          7          8          9         10
     6  C    0.000000
     7  H    3.187884   0.000000
     8  H    3.214883   1.753528   0.000000
     9  H    2.187828   2.953709   2.390904   0.000000
    10  H    2.177660   2.358293   2.948425   1.751040   0.000000
    11  C    1.569019   2.858149   3.369707   3.366428   2.867962
    12  H    3.310515   2.495464   2.694623   4.176765   4.041653
    13  H    3.212785   4.311295   3.606520   4.298081   4.906716
    14  H    3.162897   3.608921   2.307707   3.241472   4.262945
    15  H    2.181235   4.891522   4.350817   3.642183   4.294182
    16  O    2.443552   4.562148   3.536268   2.370047   3.748735
    17  C    1.514354   4.412828   4.605273   2.973851   2.709504
    18  C    2.595429   2.802240   4.011678   4.022884   2.830087
    19  C    2.613070   4.295783   4.678402   4.682174   4.314986
    20  H    2.155828   4.947488   4.878454   2.838515   2.999239
    21  H    2.163367   4.411063   4.967607   3.373260   2.529086
    22  H    2.167242   5.204782   5.378710   3.942926   3.740264
    23  H    2.820569   2.205745   3.658888   3.637637   2.178051
    24  H    3.527662   3.117458   4.435087   4.914150   3.770667
    25  H    2.940554   3.791172   4.961999   4.550406   3.255199
    26  H    2.885225   4.842763   4.845606   4.858527   4.870127
    27  H    2.923085   4.982517   5.492552   5.099724   4.568062
    28  H    3.543605   4.524273   5.080430   5.482392   4.980139
    29  C    3.676574   5.736505   4.507540   3.631484   5.091293
    30  C    4.764364   6.587018   5.232253   4.114970   5.753138
    31  O    4.167905   6.275809   5.087222   4.574698   5.880792
    32  H    4.787189   6.838764   5.659209   4.096596   5.633545
    33  H    5.696005   7.546334   6.126465   5.181418   6.813864
    34  H    4.952769   6.249535   4.768303   3.860862   5.595651
                   11         12         13         14         15
    11  C    0.000000
    12  H    2.246080   0.000000
    13  H    2.897053   2.499467   0.000000
    14  H    3.356827   2.730554   1.753176   0.000000
    15  H    2.806414   3.986138   2.333234   2.937089   0.000000
    16  O    3.675221   4.492034   3.208658   2.532862   2.040926
    17  C    2.639364   4.718472   4.444811   4.547786   2.719208
    18  C    1.530293   2.938189   4.338179   4.664183   4.248654
    19  C    1.532528   2.922909   2.864618   4.025360   2.744215
    20  H    3.566479   5.465233   4.953258   4.798308   3.024473
    21  H    2.929753   5.059462   5.247038   5.317912   3.744249
    22  H    2.916756   5.052708   4.463985   4.938004   2.535574
    23  H    2.205000   3.267589   4.886579   4.831303   4.794219
    24  H    2.161470   2.805892   4.571792   5.060981   4.921190
    25  H    2.168497   3.942786   5.014927   5.479680   4.501348
    26  H    2.211699   3.194339   2.225951   3.659093   2.142947
    27  H    2.171315   3.945028   3.818412   4.932006   3.100776
    28  H    2.161853   2.830767   3.259487   4.527992   3.720595
    29  C    4.754388   5.333409   3.517421   2.977142   2.509146
    30  C    6.016442   6.569948   4.935605   4.074535   3.932222
    31  O    4.952677   5.376783   3.152705   3.121516   2.433675
    32  H    6.197553   7.064884   5.575237   4.780783   4.175710
    33  H    6.866824   7.316635   5.449076   4.727775   4.558860
    34  H    6.169042   6.473437   5.129083   3.926800   4.482972
                   16         17         18         19         20
    16  O    0.000000
    17  C    3.109145   0.000000
    18  C    4.958453   3.214456   0.000000
    19  C    4.333944   3.236955   2.460848   0.000000
    20  H    2.845643   1.091892   4.200975   4.213751   0.000000
    21  H    4.073796   1.091498   2.945688   3.635823   1.762314
    22  H    3.532714   1.092131   3.591707   2.956665   1.763194
    23  H    5.076084   3.452841   1.087195   3.447016   4.275385
    24  H    5.772702   4.248728   1.092338   2.701534   5.258330
    25  H    5.377512   3.023410   1.091879   2.663076   4.054451
    26  H    3.970868   3.550627   3.449546   1.087467   4.360481
    27  H    4.768947   3.004729   2.699685   1.091931   4.018540
    28  H    5.272254   4.249250   2.663919   1.092189   5.258630
    29  C    1.346040   4.221915   6.146946   5.131110   3.873991
    30  C    2.349990   5.135504   7.301483   6.546087   4.514602
    31  O    2.251914   4.755462   6.445506   4.995501   4.591598
    32  H    2.608893   4.852771   7.369333   6.764704   4.051330
    33  H    3.274122   6.045989   8.219806   7.242850   5.439741
    34  H    2.628966   5.508426   7.377082   6.898494   4.913391
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.768019   0.000000
    23  H    3.032645   4.096676   0.000000
    24  H    4.004978   4.504015   1.759164   0.000000
    25  H    2.525041   3.230349   1.758593   1.759045   0.000000
    26  H    4.205314   3.144304   4.352208   3.708200   3.696210
    27  H    3.265238   2.470918   3.705432   3.061378   2.438166
    28  H    4.508389   3.992707   3.695373   2.440816   2.950514
    29  C    5.255529   4.413427   6.354203   6.889004   6.553455
    30  C    6.091018   5.452318   7.350206   8.112830   7.692378
    31  O    5.830335   4.706618   6.824565   7.066182   6.845831
    32  H    5.743447   5.192501   7.372202   8.274026   7.634176
    33  H    7.041711   6.237133   8.335490   8.989424   8.604527
    34  H    6.377660   5.995752   7.291579   8.162036   7.878388
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.759032   0.000000
    28  H    1.755742   1.758353   0.000000
    29  C    4.515705   5.576716   6.032978   0.000000
    30  C    5.993377   6.937116   7.472163   1.504800   0.000000
    31  O    4.175995   5.478106   5.811442   1.205113   2.410248
    32  H    6.307740   7.004535   7.764051   2.139704   1.090613
    33  H    6.570442   7.637402   8.140769   2.130585   1.086162
    34  H    6.433974   7.389015   7.767587   2.136704   1.090987
                   31         32         33         34
    31  O    0.000000
    32  H    3.119904   0.000000
    33  H    2.564447   1.784406   0.000000
    34  H    3.100264   1.758202   1.782460   0.000000
 Stoichiometry    C12H20O2
 Framework group  C1[X(C12H20O2)]
 Deg. of freedom    96
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.09D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.240639   -1.220521   -1.593952
      2          6           0       -0.772379   -1.711714   -0.196556
      3          6           0       -1.356487    0.301932   -1.398559
      4          6           0        0.077396    0.849484   -1.275021
      5          6           0        0.495406    0.398364    0.144405
      6          6           0       -0.704790   -0.420476    0.653009
      7          1           0       -2.195583   -1.663465   -1.875848
      8          1           0       -0.528201   -1.466626   -2.381766
      9          1           0        0.193323   -2.210778   -0.227221
     10          1           0       -1.481233   -2.413249    0.242895
     11          6           0       -1.888350    0.419572    0.056917
     12          1           0       -1.959508    0.805110   -2.154682
     13          1           0        0.128882    1.932113   -1.369936
     14          1           0        0.741881    0.427523   -2.028774
     15          1           0        0.689863    1.251037    0.790022
     16          8           0        1.689332   -0.414672    0.164040
     17          6           0       -0.691646   -0.656663    2.148773
     18          6           0       -3.263934   -0.215407    0.272245
     19          6           0       -1.976808    1.860613    0.570939
     20          1           0        0.188258   -1.234779    2.438218
     21          1           0       -1.573690   -1.214726    2.468040
     22          1           0       -0.666490    0.284659    2.701973
     23          1           0       -3.312198   -1.262484   -0.016360
     24          1           0       -4.016543    0.322861   -0.308315
     25          1           0       -3.555175   -0.148366    1.322428
     26          1           0       -1.062281    2.434735    0.442068
     27          1           0       -2.228382    1.873406    1.633417
     28          1           0       -2.771733    2.392658    0.043778
     29          6           0        2.862479    0.235712    0.052007
     30          6           0        4.017566   -0.727490    0.101407
     31          8           0        2.958317    1.430494   -0.072931
     32          1           0        3.985571   -1.302060    1.027842
     33          1           0        4.952347   -0.178454    0.034385
     34          1           0        3.942814   -1.436137   -0.724719
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.2924380           0.4724883           0.4648286
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     12     13     14     15     20     21
 Centers:      22     23     24     25     26     27     28     32     33     34
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6     11     17     18     19
 Centers:      29     30
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      16     31
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   474 symmetry adapted cartesian basis functions of A   symmetry.
 There are   446 symmetry adapted basis functions of A   symmetry.
   446 basis functions,   654 primitive gaussians,   474 cartesian basis functions
    54 alpha electrons       54 beta electrons
       nuclear repulsion energy      1014.9172554271 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   34 NActive=   34 NUniq=   34 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0670990541 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1014.8501563731 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:04 2021, MaxMem=  5637144576 cpu:               5.8 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   446 RedAO= T EigKep=  4.62D-06  NBF=   446
 NBsUse=   446 1.00D-06 EigRej= -1.00D+00 NBFU=   446
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   474   474   474   474   474 MxSgAt=    34 MxSgA2=    34.
 Leave Link  302 at Fri Jul 16 13:10:06 2021, MaxMem=  5637144576 cpu:               8.3 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:06 2021, MaxMem=  5637144576 cpu:               2.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "14_bornylOAc_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:09 2021, MaxMem=  5637144576 cpu:              16.0 elap:               2.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636686722 LenY=  5636461572
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 960000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -619.439049663438    
 DIIS: error= 2.38D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -619.439049663438     IErMin= 1 ErrMin= 2.38D-03
 ErrMax= 2.38D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-02 BMatP= 1.13D-02
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.38D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.281 Goal=   None    Shift=    0.000
 GapD=    0.281 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.99D-02 MaxDP=3.60D+00              OVMax= 1.11D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.50D-02    CP:  1.47D+00
 E= -619.448202307208     Delta-E=       -0.009152643770 Rises=F Damp=F
 DIIS: error= 5.25D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -619.448202307208     IErMin= 2 ErrMin= 5.25D-04
 ErrMax= 5.25D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.71D-04 BMatP= 1.13D-02
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.25D-03
 Coeff-Com:  0.386D-01 0.961D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.384D-01 0.962D+00
 Gap=     0.284 Goal=   None    Shift=    0.000
 RMSDP=8.59D-04 MaxDP=1.57D-01 DE=-9.15D-03 OVMax= 6.74D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.97D-04    CP:  1.49D+00  1.04D+00
 E= -619.447990189501     Delta-E=        0.000212117706 Rises=F Damp=F
 DIIS: error= 7.34D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -619.448202307208     IErMin= 2 ErrMin= 5.25D-04
 ErrMax= 7.34D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.93D-04 BMatP= 3.71D-04
 IDIUse=3 WtCom= 2.70D-01 WtEn= 7.30D-01
 Coeff-Com: -0.130D-01 0.584D+00 0.429D+00
 Coeff-En:   0.000D+00 0.613D+00 0.387D+00
 Coeff:     -0.351D-02 0.605D+00 0.398D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.33D-04 MaxDP=1.29D-02 DE= 2.12D-04 OVMax= 3.68D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.76D-05    CP:  1.49D+00  1.03D+00  6.88D-01
 E= -619.448515793006     Delta-E=       -0.000525603504 Rises=F Damp=F
 DIIS: error= 9.46D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -619.448515793006     IErMin= 4 ErrMin= 9.46D-05
 ErrMax= 9.46D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.50D-06 BMatP= 3.71D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.803D-02 0.264D+00 0.185D+00 0.559D+00
 Coeff:     -0.803D-02 0.264D+00 0.185D+00 0.559D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=2.55D-05 MaxDP=2.09D-03 DE=-5.26D-04 OVMax= 6.36D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.16D-05    CP:  1.49D+00  1.04D+00  6.53D-01  9.75D-01
 E= -619.448523146532     Delta-E=       -0.000007353526 Rises=F Damp=F
 DIIS: error= 2.67D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -619.448523146532     IErMin= 5 ErrMin= 2.67D-05
 ErrMax= 2.67D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.81D-07 BMatP= 8.50D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.227D-02 0.544D-01 0.367D-01 0.256D+00 0.655D+00
 Coeff:     -0.227D-02 0.544D-01 0.367D-01 0.256D+00 0.655D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.37D-05 MaxDP=1.61D-03 DE=-7.35D-06 OVMax= 2.91D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.78D-06    CP:  1.49D+00  1.04D+00  6.63D-01  9.40D-01  1.02D+00
 E= -619.448523534630     Delta-E=       -0.000000388098 Rises=F Damp=F
 DIIS: error= 2.21D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -619.448523534630     IErMin= 6 ErrMin= 2.21D-05
 ErrMax= 2.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.14D-07 BMatP= 8.81D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.651D-03 0.612D-02 0.341D-02 0.111D+00 0.473D+00 0.407D+00
 Coeff:     -0.651D-03 0.612D-02 0.341D-02 0.111D+00 0.473D+00 0.407D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=3.46D-06 MaxDP=4.39D-04 DE=-3.88D-07 OVMax= 1.68D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.37D-06    CP:  1.49D+00  1.04D+00  6.63D-01  9.55D-01  9.81D-01
                    CP:  8.13D-01
 E= -619.448523921723     Delta-E=       -0.000000387094 Rises=F Damp=F
 DIIS: error= 2.19D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -619.448523921723     IErMin= 7 ErrMin= 2.19D-06
 ErrMax= 2.19D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.16D-09 BMatP= 5.14D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.815D-04-0.223D-02-0.187D-02 0.244D-01 0.154D+00 0.174D+00
 Coeff-Com:  0.652D+00
 Coeff:     -0.815D-04-0.223D-02-0.187D-02 0.244D-01 0.154D+00 0.174D+00
 Coeff:      0.652D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.57D-06 MaxDP=1.62D-04 DE=-3.87D-07 OVMax= 1.58D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.08D-07    CP:  1.49D+00  1.04D+00  6.63D-01  9.63D-01  9.80D-01
                    CP:  7.31D-01  8.64D-01
 E= -619.448523928217     Delta-E=       -0.000000006493 Rises=F Damp=F
 DIIS: error= 1.02D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -619.448523928217     IErMin= 8 ErrMin= 1.02D-06
 ErrMax= 1.02D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.46D-10 BMatP= 8.16D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.120D-04-0.119D-02-0.952D-03 0.576D-02 0.498D-01 0.610D-01
 Coeff-Com:  0.316D+00 0.570D+00
 Coeff:     -0.120D-04-0.119D-02-0.952D-03 0.576D-02 0.498D-01 0.610D-01
 Coeff:      0.316D+00 0.570D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=3.79D-07 MaxDP=3.69D-05 DE=-6.49D-09 OVMax= 5.81D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.59D-07    CP:  1.49D+00  1.04D+00  6.63D-01  9.62D-01  9.81D-01
                    CP:  7.34D-01  8.65D-01  7.62D-01
 E= -619.448523928836     Delta-E=       -0.000000000619 Rises=F Damp=F
 DIIS: error= 3.18D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -619.448523928836     IErMin= 9 ErrMin= 3.18D-07
 ErrMax= 3.18D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.34D-11 BMatP= 7.46D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.530D-05-0.347D-03-0.260D-03-0.307D-03 0.568D-02 0.851D-02
 Coeff-Com:  0.747D-01 0.291D+00 0.621D+00
 Coeff:      0.530D-05-0.347D-03-0.260D-03-0.307D-03 0.568D-02 0.851D-02
 Coeff:      0.747D-01 0.291D+00 0.621D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=1.11D-07 MaxDP=1.15D-05 DE=-6.19D-10 OVMax= 1.53D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.85D-08    CP:  1.49D+00  1.04D+00  6.63D-01  9.62D-01  9.82D-01
                    CP:  7.36D-01  8.67D-01  7.95D-01  7.49D-01
 E= -619.448523928995     Delta-E=       -0.000000000159 Rises=F Damp=F
 DIIS: error= 5.59D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -619.448523928995     IErMin=10 ErrMin= 5.59D-08
 ErrMax= 5.59D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.89D-12 BMatP= 8.34D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.313D-05-0.987D-04-0.682D-04-0.466D-03 0.687D-05 0.667D-03
 Coeff-Com:  0.176D-01 0.102D+00 0.285D+00 0.595D+00
 Coeff:      0.313D-05-0.987D-04-0.682D-04-0.466D-03 0.687D-05 0.667D-03
 Coeff:      0.176D-01 0.102D+00 0.285D+00 0.595D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=3.03D-08 MaxDP=4.01D-06 DE=-1.59D-10 OVMax= 3.15D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.13D-08    CP:  1.49D+00  1.04D+00  6.63D-01  9.62D-01  9.82D-01
                    CP:  7.36D-01  8.68D-01  7.93D-01  7.59D-01  7.75D-01
 E= -619.448523928865     Delta-E=        0.000000000129 Rises=F Damp=F
 DIIS: error= 1.37D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -619.448523928995     IErMin=11 ErrMin= 1.37D-08
 ErrMax= 1.37D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.66D-13 BMatP= 3.89D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D-05-0.166D-04-0.830D-05-0.194D-03-0.445D-03-0.405D-03
 Coeff-Com:  0.215D-02 0.232D-01 0.830D-01 0.284D+00 0.609D+00
 Coeff:      0.100D-05-0.166D-04-0.830D-05-0.194D-03-0.445D-03-0.405D-03
 Coeff:      0.215D-02 0.232D-01 0.830D-01 0.284D+00 0.609D+00
 Gap=     0.281 Goal=   None    Shift=    0.000
 RMSDP=9.56D-09 MaxDP=9.13D-07 DE= 1.29D-10 OVMax= 1.11D-07

 SCF Done:  E(RB3LYP) =  -619.448523929     A.U. after   11 cycles
            NFock= 11  Conv=0.96D-08     -V/T= 2.0114
 KE= 6.124624528819D+02 PE=-3.466705056736D+03 EE= 1.219943923552D+03
 Leave Link  502 at Fri Jul 16 13:18:01 2021, MaxMem=  5637144576 cpu:            3738.3 elap:             471.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   446
 NBasis=   446 NAE=    54 NBE=    54 NFC=     0 NFV=     0
 NROrb=    446 NOA=    54 NOB=    54 NVA=   392 NVB=   392

 **** Warning!!: The largest alpha MO coefficient is  0.87209954D+02

 Leave Link  801 at Fri Jul 16 13:18:02 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10301 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          34
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.53D-13 8.33D-09 XBig12= 1.00D+00 1.84D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.53D-13 8.33D-09 XBig12= 3.60D-01 1.12D-01.
     11 vectors produced by pass  2 Test12= 3.53D-13 8.33D-09 XBig12= 8.36D-02 3.43D-02.
     11 vectors produced by pass  3 Test12= 3.53D-13 8.33D-09 XBig12= 4.78D-03 7.80D-03.
     11 vectors produced by pass  4 Test12= 3.53D-13 8.33D-09 XBig12= 7.18D-04 3.17D-03.
     11 vectors produced by pass  5 Test12= 3.53D-13 8.33D-09 XBig12= 1.28D-04 1.43D-03.
     11 vectors produced by pass  6 Test12= 3.53D-13 8.33D-09 XBig12= 6.10D-06 2.19D-04.
     11 vectors produced by pass  7 Test12= 3.53D-13 8.33D-09 XBig12= 1.51D-07 4.11D-05.
     11 vectors produced by pass  8 Test12= 3.53D-13 8.33D-09 XBig12= 2.46D-09 6.58D-06.
     10 vectors produced by pass  9 Test12= 3.53D-13 8.33D-09 XBig12= 5.54D-11 9.22D-07.
      6 vectors produced by pass 10 Test12= 3.53D-13 8.33D-09 XBig12= 7.44D-13 1.24D-07.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   115 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.164328D+03
      2 -0.218353D+01  0.137947D+03
      3 -0.748957D+00 -0.399449D+00  0.131963D+03
 Isotropic polarizability for W=    0.085645      144.75 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.497539D+01  0.360474D+01 -0.470828D+00
      2   0.742398D+01  0.574669D+01 -0.116582D+02
      3  -0.244859D+01 -0.935143D+01  0.121290D+02
      4  -0.107198D+02 -0.494984D+02 -0.134432D+02
      5   0.733730D+01 -0.124843D+02 -0.101192D+03
      6  -0.544145D+01  0.141575D+01 -0.327393D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.287766D+00  0.867460D+00  0.785098D+01
      2  -0.321431D+00 -0.444848D+01 -0.485663D+02
      3  -0.409353D+01  0.221233D+02  0.357928D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.958852D+00  0.130739D+02  0.233879D+02
      2  -0.780813D+01 -0.800176D+01 -0.987435D+02
      3  -0.143246D+02  0.569224D+02  0.704290D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.194884D+00  0.521714D+00  0.193553D+00
      2   0.521714D+00 -0.354680D+00  0.138311D+01
      3   0.193553D+00  0.138311D+01 -0.607395D+00
 OR G Eigenvalues:    -1.8970    -0.3734     1.1135  Iso=     0.3857
 Eigenvectors:
   (1)   0.128774  -0.685861   0.716249
   (2)   0.919975  -0.187018  -0.344485
   (3)   0.370220   0.703292   0.606892
 w=    0.085645 a.u., Optical Rotation Beta=      0.3857 au.
 Molar Mass =    196.2888 grams/mole, [Alpha] ( 5320.0 A) =       93.18 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   99681 ScalPx= 6.93D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   99681 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.56D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 5.88D-14 2.78D-09 XBig12= 1.00D+00 3.04D-01.
     30 vectors produced by pass  1 Test12= 5.88D-14 2.78D-09 XBig12= 5.32D-02 3.05D-02.
     30 vectors produced by pass  2 Test12= 5.88D-14 2.78D-09 XBig12= 2.58D-03 5.18D-03.
     30 vectors produced by pass  3 Test12= 5.88D-14 2.78D-09 XBig12= 8.51D-05 9.49D-04.
     30 vectors produced by pass  4 Test12= 5.88D-14 2.78D-09 XBig12= 7.71D-07 9.17D-05.
     30 vectors produced by pass  5 Test12= 5.88D-14 2.78D-09 XBig12= 5.64D-09 5.32D-06.
     30 vectors produced by pass  6 Test12= 5.88D-14 2.78D-09 XBig12= 3.75D-11 4.71D-07.
     28 vectors produced by pass  7 Test12= 5.88D-14 2.78D-09 XBig12= 1.78D-13 3.24D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   238 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   99681 ScalPx= 6.74D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   99681 ScalPx= 6.74D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   99681 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.79D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.164328D+03 -0.218353D+01 -0.748957D+00
      2  -0.218353D+01  0.137947D+03 -0.399449D+00
      3  -0.748957D+00 -0.399449D+00  0.131963D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.287766D+00  0.867460D+00  0.785098D+01
      2  -0.321431D+00 -0.444848D+01 -0.485663D+02
      3  -0.409353D+01  0.221233D+02  0.357928D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.497539D+01  0.360474D+01 -0.470828D+00
      2   0.742398D+01  0.574669D+01 -0.116582D+02
      3  -0.244859D+01 -0.935143D+01  0.121290D+02
      4  -0.107198D+02 -0.494984D+02 -0.134432D+02
      5   0.733730D+01 -0.124843D+02 -0.101192D+03
      6  -0.544145D+01  0.141575D+01 -0.327393D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.281512D+01  0.302975D+01  0.341445D+01  0.237723D+01  0.757971D+00
      2   0.302975D+01  0.862415D+00  0.235430D+00  0.757971D+00 -0.304002D+01
      3   0.341445D+01  0.235430D+00 -0.356408D+01  0.668831D+00  0.725136D-01
                 6             7             8             9            10 
      1   0.668831D+00  0.190575D+01  0.497371D+00 -0.307661D+01 -0.261154D+01
      2   0.725136D-01  0.497371D+00  0.631004D-01  0.280885D+01  0.414513D+01
      3   0.250498D+01 -0.307661D+01  0.280885D+01  0.533991D+00 -0.131731D+01
                11            12            13            14            15 
      1   0.414513D+01 -0.131731D+01  0.353196D+01  0.597010D-01 -0.142618D+01
      2  -0.653051D-01 -0.146144D+01  0.597010D-01  0.434980D+00 -0.312226D+01
      3  -0.146144D+01  0.200446D+01 -0.142618D+01 -0.312226D+01 -0.283853D+01
                16            17            18            19            20 
      1  -0.768842D+00 -0.168362D+01  0.138303D+01 -0.991675D+00 -0.358303D+01
      2  -0.168362D+01 -0.279692D+01 -0.150397D+01 -0.358303D+01  0.484121D+00
      3   0.138303D+01 -0.150397D+01  0.190039D+01  0.427722D+00 -0.126661D+01
                21            22            23            24            25 
      1   0.427722D+00 -0.404821D+01  0.476671D+00 -0.160531D+01 -0.502162D+00
      2  -0.126661D+01  0.476671D+00  0.354550D+01  0.221374D+01 -0.119813D+01
      3   0.477128D+01 -0.160531D+01  0.221374D+01 -0.244579D+01  0.599842D+01
                26            27            28            29            30 
      1  -0.119813D+01  0.599842D+01  0.667542D+00  0.183526D+01  0.154208D+01
      2   0.827030D+00 -0.351900D+01  0.183526D+01 -0.287981D+00  0.913398D-01
      3  -0.351900D+01 -0.116947D+01  0.154208D+01  0.913398D-01 -0.344855D+01
                31            32            33            34            35 
      1   0.276113D+01 -0.943860D+00 -0.176759D+00 -0.258380D+00  0.378823D+00
      2  -0.943860D+00 -0.503791D+01  0.121441D+01  0.378823D+00  0.445290D+00
      3  -0.176759D+00  0.121441D+01  0.232613D+01 -0.380732D+01  0.181494D+01
                36            37            38            39            40 
      1  -0.380732D+01 -0.532091D+01  0.138384D+01 -0.136485D+01  0.204062D+01
      2   0.181494D+01  0.138384D+01  0.706355D+00 -0.114399D+01 -0.194808D+00
      3  -0.337852D+00 -0.136485D+01 -0.114399D+01  0.310132D+01 -0.112466D+01
                41            42            43            44            45 
      1  -0.194808D+00 -0.112466D+01  0.864893D+00 -0.776246D+00  0.140635D+01
      2  -0.925287D+00 -0.236611D+01 -0.776246D+00 -0.158218D+01 -0.172574D+01
      3  -0.236611D+01 -0.277124D+01  0.140635D+01 -0.172574D+01  0.152582D+01
                46            47            48            49            50 
      1   0.249895D+01 -0.467558D+01  0.318464D+01 -0.648464D+01  0.111081D+01
      2  -0.467558D+01  0.130118D+01  0.520587D+00  0.111081D+01  0.364531D+00
      3   0.318464D+01  0.520587D+00  0.676836D+00  0.463786D+00  0.381341D+01
                51            52            53            54            55 
      1   0.463786D+00  0.371749D+01 -0.198184D+00  0.200209D-01 -0.572405D+01
      2   0.381341D+01 -0.198184D+00  0.446488D+01  0.176110D+01 -0.271090D+01
      3   0.134848D+01  0.200209D-01  0.176110D+01 -0.357721D+01 -0.272046D+01
                56            57            58            59            60 
      1  -0.271090D+01 -0.272046D+01 -0.216278D+01 -0.198388D+01 -0.112365D+01
      2  -0.255362D+01 -0.158396D+01 -0.198388D+01 -0.201642D+01 -0.124290D+01
      3  -0.158396D+01 -0.237111D+01 -0.112365D+01 -0.124290D+01 -0.143563D+01
                61            62            63            64            65 
      1  -0.162646D+01 -0.971656D+00 -0.148365D+01  0.196891D+01 -0.123963D+01
      2  -0.971656D+00 -0.911895D+00 -0.132165D+01 -0.123963D+01  0.141860D+01
      3  -0.148365D+01 -0.132165D+01 -0.195999D+01 -0.246572D+01  0.136915D+01
                66            67            68            69            70 
      1  -0.246572D+01 -0.658463D+00  0.664009D+00  0.375050D+00 -0.176164D+01
      2   0.136915D+01  0.664009D+00 -0.106690D+01 -0.145034D+01  0.623929D+00
      3   0.383297D+01  0.375050D+00 -0.145034D+01 -0.160885D+01  0.218943D+01
                71            72            73            74            75 
      1   0.623929D+00  0.218943D+01  0.550583D+01 -0.290238D+01  0.277359D+00
      2  -0.172224D+01 -0.235540D+01 -0.290238D+01  0.349253D+01  0.293765D+00
      3  -0.235540D+01 -0.630324D+01  0.277359D+00  0.293765D+00  0.857551D+00
                76            77            78            79            80 
      1  -0.212193D+01  0.215612D+01  0.216533D+00  0.141777D+00  0.206900D+00
      2   0.215612D+01 -0.325965D+01  0.232182D+00  0.206900D+00  0.258831D+00
      3   0.216533D+00  0.232182D+00 -0.337645D+00  0.645088D+00 -0.587652D+00
                81            82            83            84            85 
      1   0.645088D+00 -0.249436D+01 -0.234778D+01  0.889870D+00 -0.206730D+01
      2  -0.587652D+00 -0.234778D+01 -0.305216D+01  0.960182D+00 -0.215278D+01
      3  -0.147165D+00  0.889870D+00  0.960182D+00 -0.140918D+01  0.640100D+00
                86            87            88            89            90 
      1  -0.215278D+01  0.640100D+00  0.100306D+01  0.106547D+01 -0.104806D+01
      2  -0.512613D+01  0.165743D+01  0.106547D+01  0.236282D+01 -0.127909D+01
      3   0.165743D+01 -0.105589D+01 -0.104806D+01 -0.127909D+01  0.128149D+01
                91            92            93            94            95 
      1  -0.157878D+01  0.570579D+01 -0.223028D+01  0.687189D+01 -0.611953D+00
      2   0.570579D+01 -0.159960D+01  0.927046D+00 -0.611953D+00 -0.350052D+01
      3  -0.223028D+01  0.927046D+00 -0.475099D+01  0.111678D+01 -0.355437D+01
                96            97            98            99           100 
      1   0.111678D+01 -0.157719D+01  0.716318D+00 -0.417625D+01 -0.329224D+01
      2  -0.355437D+01  0.716318D+00 -0.296857D+01  0.106059D+01  0.183667D+01
      3   0.154375D+01 -0.417625D+01  0.106059D+01  0.470972D+01 -0.280427D+01
               101           102           103           104           105 
      1   0.183667D+01 -0.280427D+01  0.201281D+01 -0.144054D+01  0.134928D+01
      2  -0.137876D+01  0.133184D+01 -0.144054D+01  0.193499D+01 -0.233082D+01
      3   0.133184D+01 -0.341385D+01  0.134928D+01 -0.233082D+01  0.258960D+01
               106           107           108           109           110 
      1  -0.210285D+01  0.911152D+00 -0.307981D+01  0.333252D+00  0.920301D+00
      2   0.911152D+00 -0.176337D+01  0.225822D+01  0.920301D+00  0.445047D+00
      3  -0.307981D+01  0.225822D+01 -0.573123D+01 -0.259779D+00 -0.136468D+00
               111           112           113           114           115 
      1  -0.259779D+00  0.148889D+01  0.903574D+00 -0.241254D+00  0.155437D-01
      2  -0.136468D+00  0.903574D+00  0.788432D+01 -0.207522D+01 -0.147037D+00
      3   0.301170D+00 -0.241254D+00 -0.207522D+01  0.170797D+01  0.424917D+00
               116           117           118           119           120 
      1  -0.147037D+00  0.424917D+00  0.349642D+01 -0.508841D+00 -0.231860D+01
      2  -0.107963D+01  0.112862D+01 -0.508841D+00  0.545943D+00  0.113931D+00
      3   0.112862D+01 -0.828270D+00 -0.231860D+01  0.113931D+00  0.286261D+01
               121           122           123           124           125 
      1  -0.175280D+01  0.580662D+00  0.832103D+00 -0.279729D+01  0.387564D-01
      2   0.580662D+00 -0.682157D-01 -0.983545D+00  0.387564D-01 -0.924357D+00
      3   0.832103D+00 -0.983545D+00 -0.169023D+01  0.264400D+01 -0.438762D+00
               126           127           128           129           130 
      1   0.264400D+01  0.209331D+01  0.831376D+00  0.101330D+01  0.251281D+01
      2  -0.438762D+00  0.831376D+00  0.223413D+00  0.336954D+00  0.672106D-01
      3  -0.466824D+01  0.101330D+01  0.336954D+00  0.280132D+00  0.427088D+00
               131           132           133           134           135 
      1   0.672106D-01  0.427088D+00  0.140843D+01  0.430989D+00  0.165201D+00
      2   0.315382D+01  0.173967D+01  0.430989D+00  0.182606D+01  0.164648D+01
      3   0.173967D+01  0.213169D+01  0.165201D+00  0.164648D+01  0.239888D+01
               136           137           138           139           140 
      1  -0.743330D+00 -0.217281D+01  0.552667D+00 -0.536242D+01  0.282800D+00
      2  -0.217281D+01 -0.132452D+01 -0.159618D+00  0.282800D+00 -0.186387D+01
      3   0.552667D+00 -0.159618D+00 -0.170003D+01  0.662573D-01  0.606023D+00
               141           142           143           144           145 
      1   0.662573D-01  0.523026D+00 -0.177559D+00 -0.486409D+00 -0.229663D+00
      2   0.606023D+00 -0.177559D+00  0.162977D+00 -0.663311D+00  0.462391D+01
      3  -0.295930D+00 -0.486409D+00 -0.663311D+00  0.359442D+00 -0.347674D+01
               146           147           148           149           150 
      1   0.462391D+01 -0.347674D+01  0.472880D+01 -0.298256D+00 -0.217412D+00
      2  -0.291145D+00 -0.159131D+00 -0.298256D+00 -0.130756D+01 -0.427508D+01
      3  -0.159131D+00 -0.310956D+00 -0.217412D+00 -0.427508D+01 -0.164815D+01
               151           152           153           154           155 
      1  -0.300270D+01  0.152823D-01 -0.637171D-02  0.142997D+00 -0.394005D+01
      2   0.152823D-01 -0.334645D+01 -0.165853D+01 -0.394005D+01  0.533319D+00
      3  -0.637171D-02 -0.165853D+01  0.249801D+01  0.205220D+01 -0.708529D+00
               156           157           158           159           160 
      1   0.205220D+01 -0.471189D+01  0.112620D+01 -0.897838D+00  0.234154D+01
      2  -0.708529D+00  0.112620D+01  0.435462D+01  0.228655D+01 -0.849772D+00
      3   0.298593D+01 -0.897838D+00  0.228655D+01 -0.781287D+00  0.420524D+01
               161           162           163           164           165 
      1  -0.849772D+00  0.420524D+01 -0.213381D+00 -0.516220D+01  0.161982D+01
      2   0.235365D+01 -0.663725D+00 -0.516220D+01  0.377784D+00 -0.975762D+00
      3  -0.663725D+00 -0.466444D+01  0.161982D+01 -0.975762D+00  0.240254D+01
               166           167           168           169           170 
      1  -0.482694D+01 -0.608521D-01 -0.108144D+01  0.192996D+01 -0.114663D+01
      2  -0.608521D-01  0.211520D+01  0.275789D+01 -0.114663D+01  0.297617D+01
      3  -0.108144D+01  0.275789D+01 -0.401613D+00  0.300559D+01 -0.137350D+01
               171           172           173           174           175 
      1   0.300559D+01  0.458823D+01 -0.238614D+01  0.245806D+01 -0.248112D+01
      2  -0.137350D+01 -0.238614D+01  0.199359D+01 -0.144574D+01  0.171048D+01
      3  -0.537535D+01  0.245806D+01 -0.144574D+01  0.304220D+01 -0.115962D+01
               176           177           178           179           180 
      1   0.171048D+01 -0.115962D+01  0.127143D+01 -0.707830D+00  0.164489D+01
      2  -0.227186D+01  0.203467D+01 -0.707830D+00  0.104244D+01 -0.995094D+00
      3   0.203467D+01 -0.181713D+01  0.164489D+01 -0.995094D+00  0.171977D+01
               181           182           183           184           185 
      1  -0.418939D+01 -0.225113D+01  0.230679D+01 -0.234165D+01 -0.158232D+01
      2  -0.225113D+01 -0.187416D+01  0.137647D+01 -0.158232D+01 -0.216021D+01
      3   0.230679D+01  0.137647D+01 -0.300696D+01  0.110473D+01  0.193480D+01
               186           187           188           189           190 
      1   0.110473D+01  0.150333D+01  0.752332D+00 -0.165443D+01  0.178780D+00
      2   0.193480D+01  0.752332D+00  0.105879D+01 -0.961674D+00  0.212721D+00
      3  -0.189900D+01 -0.165443D+01 -0.961674D+00  0.188650D+01  0.106480D+01
               191           192           193           194           195 
      1   0.212721D+00  0.106480D+01  0.696652D+00  0.643497D-01  0.219496D+00
      2   0.123456D+00  0.143012D+00  0.643497D-01  0.394299D+01  0.271909D+01
      3   0.143012D+00  0.271284D+00  0.219496D+00  0.271909D+01  0.447063D+01
               196           197           198           199           200 
      1   0.773864D+00  0.513833D-01  0.706510D-01 -0.322194D+00 -0.967845D+00
      2   0.513833D-01  0.193505D+01  0.224406D+01 -0.967845D+00 -0.863476D+00
      3   0.706510D-01  0.224406D+01  0.391802D+01 -0.589457D+00 -0.130774D-01
               201           202           203           204           205 
      1  -0.589457D+00 -0.235345D+01 -0.171893D+01  0.838322D-01 -0.108762D+01
      2  -0.130774D-01 -0.171893D+01 -0.609251D+01 -0.110836D+01 -0.129996D+00
      3  -0.278696D+00  0.838322D-01 -0.110836D+01 -0.107094D+01 -0.566819D+00
               206           207           208           209           210 
      1  -0.129996D+00 -0.566819D+00 -0.720260D+01  0.194828D+01 -0.207160D+01
      2  -0.121049D+01 -0.864807D+00  0.194828D+01 -0.116570D+01  0.522979D+00
      3  -0.864807D+00 -0.232904D+00 -0.207160D+01  0.522979D+00 -0.152198D+01
               211           212           213           214           215 
      1   0.408076D+01 -0.185944D+01  0.906787D+00 -0.405705D+01  0.928550D+00
      2  -0.185944D+01  0.125603D+01 -0.897600D+00  0.928550D+00 -0.113347D+01
      3   0.906787D+00 -0.897600D+00  0.100158D+01 -0.243099D+01  0.732450D+00
               216           217           218           219           220 
      1  -0.243099D+01 -0.228198D+01  0.239578D+00  0.171755D+01  0.767554D+00
      2   0.732450D+00  0.239578D+00 -0.334096D+00  0.126803D+00 -0.706790D+00
      3  -0.132746D+01  0.171755D+01  0.126803D+00 -0.186166D+01 -0.525176D-01
               221           222           223           224           225 
      1  -0.706790D+00 -0.525176D-01  0.372387D+01  0.244559D+00 -0.356463D+01
      2  -0.284708D+00  0.664506D+00  0.244559D+00  0.851114D+00 -0.506997D-01
      3   0.664506D+00  0.285245D+00 -0.356463D+01 -0.506997D-01  0.656278D+01
               226           227           228           229           230 
      1   0.424289D+01  0.186356D+01 -0.516698D+00  0.201086D+01  0.184303D+01
      2   0.186356D+01  0.309615D+01  0.398168D+00  0.184303D+01  0.337429D+01
      3  -0.516698D+00  0.398168D+00  0.706709D+00  0.106069D+00 -0.165577D+00
               231           232           233           234           235 
      1   0.106069D+00 -0.616646D+00  0.183161D+00  0.368553D+00 -0.115259D+01
      2  -0.165577D+00  0.183161D+00 -0.643972D+00  0.607586D+00  0.100594D+01
      3   0.544643D+00  0.368553D+00  0.607586D+00  0.318718D+00  0.119552D+01
               236           237           238           239           240 
      1   0.100594D+01  0.119552D+01  0.367434D+00 -0.300385D+00 -0.489789D-01
      2  -0.621085D+00 -0.403398D+00 -0.300385D+00  0.351287D+00  0.862870D+00
      3  -0.403398D+00 -0.155852D+01 -0.489789D-01  0.862870D+00  0.511868D+00
               241           242           243           244           245 
      1   0.162581D+01 -0.849635D+00 -0.220796D+01 -0.486619D+01  0.371866D+01
      2  -0.849635D+00  0.214561D+01  0.222729D+01  0.371866D+01 -0.363031D+01
      3  -0.220796D+01  0.222729D+01  0.744994D+01 -0.118011D+01  0.752701D+00
               246           247           248           249           250 
      1  -0.118011D+01  0.265463D+01 -0.260165D+01  0.695402D+00 -0.229475D+01
      2   0.752701D+00 -0.260165D+01  0.377148D+01 -0.117296D+01  0.168620D+01
      3  -0.132024D+01  0.695402D+00 -0.117296D+01  0.672678D+00 -0.151993D+01
               251           252           253           254           255 
      1   0.168620D+01 -0.151993D+01  0.485583D+01  0.209169D+01 -0.393014D+00
      2  -0.262641D+01  0.131856D+01  0.209169D+01  0.952043D+00 -0.115016D+00
      3   0.131856D+01 -0.818011D+00 -0.393014D+00 -0.115016D+00  0.697039D+00
               256           257           258           259           260 
      1  -0.181863D+01 -0.206085D+01 -0.195967D+00 -0.149607D+00  0.202841D+00
      2  -0.206085D+01 -0.526570D+01  0.317548D+00  0.202841D+00  0.484002D+00
      3  -0.195967D+00  0.317548D+00 -0.591565D+00  0.887838D+00 -0.781403D+00
               261           262           263           264           265 
      1   0.887838D+00 -0.240463D+01 -0.431441D+01  0.362762D+00 -0.566508D+01
      2  -0.781403D+00 -0.431441D+01  0.146262D+00  0.197547D+00 -0.143611D+01
      3   0.449670D+00  0.362762D+00  0.197547D+00  0.357093D+00  0.187720D+00
               266           267           268           269           270 
      1  -0.143611D+01  0.187720D+00  0.670076D+00  0.245899D+00 -0.118534D+01
      2   0.318729D+01  0.406325D+00  0.245899D+00  0.560357D+00  0.465485D+01
      3   0.406325D+00  0.393263D+01 -0.118534D+01  0.465485D+01 -0.107718D+01
               271           272           273           274           275 
      1   0.128440D+01  0.220297D+01 -0.265052D+00  0.898365D+01  0.340563D+01
      2   0.220297D+01  0.119604D+01  0.209779D-01  0.340563D+01  0.104592D+02
      3  -0.265052D+00  0.209779D-01  0.140217D+00  0.155304D+00 -0.492326D+00
               276           277           278           279           280 
      1   0.155304D+00 -0.569666D+00 -0.138519D+00  0.117821D+01  0.990845D+00
      2  -0.492326D+00 -0.138519D+00 -0.639729D+00  0.242436D+01 -0.112577D+00
      3   0.189675D+01  0.117821D+01  0.242436D+01 -0.641716D+00  0.845983D+00
               281           282           283           284           285 
      1  -0.112577D+00  0.845983D+00 -0.154771D+01  0.149435D+01 -0.618065D+00
      2  -0.354640D-01 -0.105745D+00  0.149435D+01 -0.356500D+01  0.191534D+01
      3  -0.105745D+00  0.155336D+00 -0.618065D+00  0.191534D+01 -0.255426D+01
               286           287           288           289           290 
      1   0.268707D+01 -0.118976D+01  0.161910D+01  0.916486D+01  0.185875D+01
      2  -0.118976D+01  0.263277D+01 -0.296078D+01  0.185875D+01  0.135597D+01
      3   0.161910D+01 -0.296078D+01  0.492169D+01 -0.225806D+00 -0.536289D-01
               291           292           293           294           295 
      1  -0.225806D+00  0.435014D+01  0.161919D+01 -0.669403D-01 -0.536215D+00
      2  -0.536289D-01  0.161919D+01  0.133411D+01 -0.118359D+00 -0.536031D-01
      3   0.107844D+01 -0.669403D-01 -0.118359D+00  0.319001D+00  0.123382D+01
               296           297           298           299           300 
      1  -0.536031D-01  0.123382D+01  0.791351D+00 -0.178857D+00 -0.725836D+00
      2  -0.172895D+00 -0.114695D+00 -0.178857D+00 -0.176833D+00  0.132329D-01
      3  -0.114695D+00 -0.542127D-01 -0.725836D+00  0.132329D-01 -0.831550D-02
               301           302           303           304           305 
      1  -0.183279D+01  0.163064D+01  0.421443D+00 -0.239785D+01  0.103827D+01
      2   0.163064D+01 -0.461212D+01 -0.209314D+01  0.103827D+01 -0.292835D+01
      3   0.421443D+00 -0.209314D+01 -0.254394D+01  0.120421D+01 -0.286847D+01
               306 
      1   0.120421D+01
      2  -0.286847D+01
      3  -0.352089D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.303565D+01 -0.128820D+01 -0.644990D+01 -0.162734D+01  0.970889D+01
      2   0.240453D+01  0.784961D+01  0.167686D+02  0.594129D+01  0.167763D+01
      3  -0.294236D+00 -0.620573D+01 -0.568010D+01 -0.165864D+01 -0.760953D+01
                 6             7             8             9            10 
      1   0.283575D+01 -0.591463D+01  0.777757D+01 -0.828353D+01 -0.927289D+00
      2  -0.173690D+01  0.789461D+01 -0.344856D+01 -0.932381D+01  0.165080D+01
      3   0.158859D+00 -0.279722D+01 -0.649310D+00  0.929948D+01  0.847084D+01
                11            12            13            14            15 
      1  -0.484308D+01  0.535193D+01 -0.493665D+01 -0.793594D+01 -0.991679D+01
      2  -0.690693D+00  0.267190D+01 -0.229379D+00  0.192316D+01  0.223023D+01
      3  -0.134837D+02  0.123036D+01 -0.820581D+01  0.304584D+00  0.290580D+01
                16            17            18            19            20 
      1   0.372547D+01 -0.239873D+01  0.673287D+01  0.660805D+01  0.258631D+00
      2  -0.196820D+01  0.131809D+01 -0.388344D+00 -0.613370D+01 -0.348842D+01
      3  -0.292764D-01  0.234179D+01 -0.526258D+01 -0.769186D+01 -0.420649D+01
                21            22            23            24            25 
      1   0.532668D+00  0.176612D+01 -0.938499D+01 -0.537158D+01 -0.128509D+00
      2  -0.422909D+01 -0.406130D+01 -0.282611D+01  0.150993D+01 -0.136596D+02
      3  -0.284525D+01  0.238870D+01  0.609006D+01  0.163490D+01 -0.214509D+01
                26            27            28            29            30 
      1   0.136871D+01  0.675931D+01 -0.787521D+01  0.965767D-01  0.435715D+01
      2   0.332228D+01  0.122904D+02  0.393309D+01  0.367144D+01  0.477351D+01
      3   0.935941D+00 -0.306715D+01  0.278010D+01  0.180302D+01  0.445975D+01
                31            32            33            34            35 
      1  -0.526489D+00  0.100694D+02 -0.802491D+01  0.595423D+01 -0.108121D+01
      2   0.706339D+01 -0.140293D+01 -0.536455D+00 -0.920717D+00 -0.183231D+00
      3   0.835788D+01  0.293259D+01 -0.144021D+01  0.426633D+01 -0.667565D+00
                36            37            38            39            40 
      1  -0.155575D+01  0.493107D+00  0.970617D+00 -0.189804D+01 -0.113978D+01
      2  -0.686054D+01  0.499125D+01 -0.228421D+01  0.137399D+01 -0.415986D+01
      3  -0.392047D+01 -0.285721D+01  0.379965D+01  0.761351D+00  0.663180D+01
                41            42            43            44            45 
      1   0.116236D+01 -0.214314D+01 -0.503912D+01  0.143924D+01 -0.425854D+01
      2  -0.150864D+01 -0.203268D+01 -0.454059D+01 -0.219984D+01  0.175338D+01
      3   0.110643D+01  0.140705D+01 -0.101800D+01 -0.106009D+00  0.116056D+01
                46            47            48            49            50 
      1  -0.261131D+01  0.639912D+00 -0.384375D+00  0.209627D+01  0.395894D+01
      2  -0.228088D+01  0.421499D+01  0.764600D-01  0.399307D+01 -0.346611D+01
      3  -0.300359D+01  0.818462D+00 -0.186991D+01  0.814899D+01 -0.170257D+01
                51            52            53            54            55 
      1   0.188493D+01  0.279323D+00  0.989359D+01  0.958369D+00  0.245762D+01
      2   0.902669D-01 -0.941767D+01 -0.258315D+00  0.178638D+01 -0.102578D+02
      3   0.182896D+01 -0.215115D+01  0.402080D+01  0.134212D+01  0.686097D+01
                56            57            58            59            60 
      1   0.448100D+01 -0.158729D+01  0.289095D+01  0.229063D+01 -0.119487D+01
      2  -0.308553D+01  0.241748D-01 -0.365565D+01 -0.268264D+01  0.299753D+00
      3  -0.182757D+01  0.145180D+01  0.213280D+01 -0.715132D+00 -0.903641D-01
                61            62            63            64            65 
      1  -0.400902D+00  0.118351D+01  0.295520D+00 -0.855218D+00 -0.270002D+01
      2  -0.223503D+01 -0.740249D-01  0.555287D+00  0.929134D+01 -0.435538D+01
      3   0.125980D+01 -0.486398D+00  0.140541D+00 -0.606507D+01  0.204063D+01
                66            67            68            69            70 
      1   0.410448D+01 -0.696471D+00 -0.145750D+00 -0.104661D+01  0.239818D+01
      2  -0.914453D+01 -0.237601D+01  0.362277D+01  0.278407D+01 -0.921110D+01
      3   0.564448D+01  0.314793D+01 -0.198368D+01 -0.303878D+01  0.449073D+01
                71            72            73            74            75 
      1   0.288280D+01 -0.479490D+01  0.126531D+01  0.441318D+00  0.363856D+01
      2   0.430846D+01  0.125106D+02  0.506265D+00 -0.187447D+00  0.105146D+01
      3  -0.250058D+01 -0.701625D+01 -0.189080D+02  0.705322D+01 -0.832841D+00
                76            77            78            79            80 
      1  -0.141859D+00  0.116486D+01 -0.200047D+01  0.139042D+01  0.231440D+00
      2  -0.418707D+00  0.186049D+00 -0.982415D+00 -0.179036D+01  0.284258D+00
      3   0.822442D+01 -0.661344D+01 -0.291628D+00 -0.347888D-01 -0.616275D+00
                81            82            83            84            85 
      1  -0.399535D+00  0.200562D+01  0.207033D+01 -0.496361D+01  0.187417D+01
      2  -0.217056D+00 -0.179242D+00 -0.509511D+00  0.222377D+01  0.151658D+00
      3  -0.176231D+01  0.650342D+01  0.114171D+01 -0.175486D+01  0.469773D+01
                86            87            88            89            90 
      1   0.381766D+01 -0.452252D+01 -0.235604D+01 -0.105694D+01  0.435221D+01
      2  -0.821640D+00  0.177122D+01 -0.536993D+00  0.107783D+01 -0.125551D+01
      3  -0.613438D-01 -0.656877D+00 -0.262414D+01  0.117349D-02  0.138133D+01
                91            92            93            94            95 
      1   0.225518D+01 -0.332538D+00  0.168048D+01  0.142521D+00  0.103015D+01
      2   0.329064D+01 -0.252278D+01  0.135850D+02 -0.335154D+01  0.719963D+01
      3   0.147067D+02 -0.371975D+01  0.785397D+00  0.829330D+01 -0.986571D+01
                96            97            98            99           100 
      1  -0.513398D+01  0.164162D+01  0.220423D+01 -0.445064D+01 -0.220555D+01
      2  -0.206217D+01  0.524331D+01 -0.164307D+01 -0.124463D+02 -0.263727D+01
      3  -0.731029D+01  0.123195D+01 -0.632913D+01 -0.375683D+00  0.679359D+00
               101           102           103           104           105 
      1   0.319553D+01  0.103267D+00  0.176138D+01 -0.320786D+01  0.114847D+01
      2   0.123417D+01  0.272071D+01  0.252603D+01  0.116310D+01 -0.251267D+01
      3  -0.296330D+01  0.799233D+00  0.267954D+00  0.283659D+01 -0.306798D+01
               106           107           108           109           110 
      1  -0.466965D+00  0.498122D+01 -0.912123D+00 -0.170288D+01 -0.656516D+00
      2  -0.186183D+01 -0.143576D+01  0.407983D+01 -0.275253D+00  0.140520D+01
      3  -0.522140D+00 -0.317533D+01  0.208876D+01  0.461874D+00  0.490274D+00
               111           112           113           114           115 
      1  -0.314730D+00 -0.103088D+01 -0.127183D+02 -0.140415D+01 -0.702914D-02
      2   0.234509D-01  0.294207D+01  0.268781D+01  0.418544D+00 -0.163037D+01
      3  -0.227103D+00  0.564441D+01 -0.149823D+01 -0.296243D+00 -0.426775D+00
               116           117           118           119           120 
      1   0.866162D+00 -0.105906D+01  0.398988D+01 -0.222355D+01 -0.339645D+01
      2  -0.953737D-01  0.121083D+01  0.761433D+01 -0.890002D+00 -0.110399D+01
      3  -0.435673D+00  0.369918D+00  0.419275D+01 -0.241977D+01 -0.344818D+01
               121           122           123           124           125 
      1  -0.176882D+01  0.192341D+01  0.287536D+01 -0.266836D+01  0.441118D+01
      2  -0.447098D+01  0.984694D+00  0.160507D+00 -0.614950D+01 -0.294687D+00
      3  -0.875358D+00  0.166079D+01  0.135947D+01 -0.342069D+01  0.166560D+01
               126           127           128           129           130 
      1   0.582644D+01  0.859165D+00 -0.610777D-01 -0.730529D+00  0.327985D+00
      2   0.298194D+01 -0.160313D-01  0.917419D-01  0.465270D+00 -0.150946D+01
      3   0.371777D+01  0.108261D+01  0.707688D+00  0.449028D+00  0.648856D+01
               131           132           133           134           135 
      1   0.627735D+00 -0.231046D+01  0.853673D+00  0.107239D+01 -0.189523D+01
      2   0.191144D+01  0.196580D+01 -0.358563D+01  0.988266D+00  0.255327D+01
      3  -0.229237D+01 -0.111363D+01  0.212993D+01 -0.109021D+01 -0.242271D+00
               136           137           138           139           140 
      1  -0.165642D+00  0.969817D-01 -0.482913D+00  0.506745D-01 -0.161962D+01
      2  -0.778875D+00 -0.882522D+00  0.720064D+01  0.219531D+01  0.618656D+00
      3   0.150254D+02 -0.818344D+01  0.164499D+01  0.126038D+02  0.492798D+01
               141           142           143           144           145 
      1  -0.341144D+01  0.665269D+00  0.117479D+01  0.350312D+00  0.100200D+02
      2  -0.117144D+01 -0.787396D+01 -0.258574D+01  0.616030D+00  0.230087D+01
      3  -0.755648D+00 -0.160884D+00  0.349291D+00  0.208587D+01  0.306790D+01
               146           147           148           149           150 
      1  -0.421799D+00 -0.777388D-01 -0.692146D+00 -0.794566D+01 -0.185168D+02
      2  -0.131985D+02  0.152548D+02 -0.125246D+02  0.281480D+01  0.599615D+00
      3  -0.636796D+01  0.377633D+01 -0.256112D+01 -0.195542D+00 -0.187506D+01
               151           152           153           154           155 
      1  -0.485017D+00 -0.100627D+02 -0.341403D+01 -0.109664D+01  0.567753D-01
      2   0.650629D+01  0.127119D+01 -0.174049D+01 -0.813416D+01  0.391913D+01
      3   0.234130D+01 -0.215783D+01 -0.967200D+00 -0.154925D+02  0.160210D+01
               156           157           158           159           160 
      1   0.588844D+00  0.747780D+00  0.300035D+01 -0.871953D+00  0.139499D+01
      2  -0.108270D+02  0.502045D+01 -0.985188D+01  0.269423D+01 -0.217739D+02
      3  -0.289386D+01  0.943476D+01  0.201158D+02  0.923098D+01 -0.366582D+01
               161           162           163           164           165 
      1   0.297945D+01 -0.102411D+01 -0.846231D+01  0.217908D+01 -0.615922D+01
      2   0.199780D+01  0.182030D+02 -0.313533D+01  0.722458D+01 -0.449852D+01
      3   0.950094D+01 -0.253223D+01 -0.139052D+02 -0.163662D+02  0.106306D+01
               166           167           168           169           170 
      1   0.216302D+01 -0.628804D+01  0.136335D+01 -0.852601D+01  0.961045D+01
      2   0.642896D+01 -0.569133D+01  0.157253D+01 -0.105466D+02  0.431384D+01
      3  -0.111772D+02  0.304974D+01  0.386049D+01  0.184666D+01  0.407638D+01
               171           172           173           174           175 
      1   0.141676D+02 -0.492816D+01  0.529693D+01 -0.155466D+00  0.376002D+01
      2   0.113142D+02 -0.157772D+02  0.723512D+01 -0.601381D+01  0.840616D+01
      3   0.300477D+01 -0.713493D+01  0.158524D+01 -0.282957D+01  0.488598D+01
               176           177           178           179           180 
      1  -0.455237D+01  0.192611D+01 -0.841696D+00  0.329155D+01 -0.101176D+01
      2  -0.581585D+01  0.334368D+01 -0.596950D+01  0.302555D+01 -0.477358D+01
      3  -0.203438D+01  0.212389D+01 -0.174104D+01  0.696424D+00 -0.216335D+01
               181           182           183           184           185 
      1  -0.436716D+01 -0.524345D+01 -0.551168D-01 -0.350501D+01 -0.416021D+01
      2   0.119787D+02  0.490015D+01 -0.130594D+01  0.643596D+01  0.274782D+01
      3   0.346835D+01 -0.119095D+01 -0.596712D+00  0.224915D+01 -0.102007D+01
               186           187           188           189           190 
      1   0.168005D+01  0.899577D+00  0.340033D+01 -0.117328D+01  0.136874D+01
      2  -0.715448D+00 -0.407897D+01 -0.154692D+01  0.230801D+01 -0.883005D+00
      3   0.492978D+00 -0.794381D+00  0.702432D+00  0.665698D+00  0.191154D+00
               191           192           193           194           195 
      1  -0.551666D-01  0.575633D+00 -0.186256D+00  0.161050D+02  0.856198D+01
      2  -0.774690D+00 -0.184182D+01 -0.379242D+01 -0.134369D+01 -0.292179D+01
      3  -0.490809D+00 -0.598221D+00  0.171843D+01  0.189816D+01  0.154717D+01
               196           197           198           199           200 
      1   0.171094D+00  0.928552D+01  0.848775D+01 -0.707881D+00 -0.615779D-02
      2  -0.362875D+01 -0.149293D+01 -0.277116D+01  0.212974D+01  0.382339D+00
      3   0.188638D+00  0.123738D+01  0.123037D+01 -0.400682D+01 -0.256317D+01
               201           202           203           204           205 
      1  -0.295189D+00  0.640379D-02 -0.299670D+01 -0.363304D+01  0.520706D-01
      2   0.133725D+01 -0.231724D+00  0.520116D+01  0.536725D+01  0.616761D+00
      3   0.452617D+00 -0.925337D+00 -0.262261D+02 -0.557751D+01  0.768013D+00
               206           207           208           209           210 
      1  -0.391753D+00 -0.965381D+00  0.930557D-01  0.520141D+00  0.295473D+00
      2   0.380584D+01  0.180814D+01  0.926842D+01 -0.283485D+01  0.884193D+01
      3  -0.578087D+01 -0.350234D+01  0.828689D+01 -0.751974D+01  0.289115D+01
               211           212           213           214           215 
      1  -0.295689D+00 -0.477507D+00 -0.103079D+01 -0.114185D+00  0.111454D+01
      2  -0.408782D+01  0.395506D+01 -0.520185D+01  0.832062D+01 -0.301133D+01
      3  -0.546895D+01  0.574565D+01 -0.355752D+01  0.368004D+01 -0.587687D+01
               216           217           218           219           220 
      1   0.386863D+00  0.483220D+00 -0.753048D+00 -0.757069D+00 -0.114322D+00
      2   0.656564D+01 -0.544214D+01 -0.433656D+00  0.756070D+01 -0.181972D+00
      3   0.309953D+01  0.121336D+01 -0.230750D+01 -0.136499D+00 -0.135619D+01
               221           222           223           224           225 
      1   0.382454D-01 -0.541587D+00 -0.568147D+00  0.303941D+01  0.180064D+01
      2  -0.204764D+01 -0.822214D+00  0.854459D+01  0.135557D+00 -0.260999D+02
      3  -0.112444D+01  0.197950D+01  0.412832D+00  0.466753D+01  0.755153D-01
               226           227           228           229           230 
      1   0.358990D+01  0.139907D+01 -0.340052D+01  0.168535D+01  0.267339D+01
      2  -0.330144D+01 -0.214961D+01  0.548933D+00 -0.189479D+01 -0.114713D+01
      3   0.197226D+02  0.953326D+01 -0.148280D+01  0.114504D+02  0.106560D+02
               231           232           233           234           235 
      1  -0.284064D+01 -0.174476D+01 -0.756225D+00  0.214757D+00 -0.196060D+01
      2  -0.169986D+00 -0.114641D+01 -0.108242D+01 -0.851456D+00 -0.149786D+01
      3  -0.436482D+00 -0.206843D+01 -0.939464D+00  0.247511D+01  0.141579D+00
               236           237           238           239           240 
      1   0.911667D-01  0.345196D+01  0.381848D+00 -0.194580D+01 -0.132311D+01
      2   0.400339D+00  0.341354D+01 -0.237903D+00 -0.188206D+01 -0.654686D+00
      3  -0.306642D+00  0.138122D+01  0.116857D+01  0.765970D-02  0.136234D+01
               241           242           243           244           245 
      1   0.428275D+01  0.169978D+00 -0.179194D+02  0.553502D+01 -0.367921D+01
      2   0.654613D+00 -0.406089D+01 -0.159601D+02  0.502529D+01 -0.387897D+01
      3   0.258926D+01  0.397473D+01  0.406878D+00 -0.354851D+01 -0.233084D+01
               246           247           248           249           250 
      1   0.522459D+01 -0.357765D+01  0.487212D+01 -0.415995D+01  0.438051D+01
      2   0.557796D+01 -0.311948D+01  0.423776D+01 -0.292322D+01  0.357433D+01
      3  -0.136504D+01  0.267876D+01  0.314118D+01 -0.692286D+00 -0.240963D+01
               251           252           253           254           255 
      1  -0.321329D+01  0.338304D+01 -0.371784D+00 -0.166618D+00 -0.126012D+01
      2  -0.376770D+01  0.335344D+01 -0.287967D+01 -0.109510D+01 -0.107584D+02
      3  -0.322245D+01 -0.337522D+00 -0.124910D+02  0.735154D+00  0.699266D+00
               256           257           258           259           260 
      1   0.580832D+00  0.153955D+01  0.729664D+01  0.914113D+00  0.982836D+01
      2  -0.225007D+01  0.201248D+01 -0.791660D+01 -0.196478D+02 -0.104306D+01
      3   0.869222D+00  0.226602D+02 -0.176023D+01  0.231498D+01 -0.244962D+01
               261           262           263           264           265 
      1  -0.179598D+01 -0.126308D+00  0.395224D+00  0.164930D+01  0.860742D-02
      2   0.185214D+01  0.175819D+01  0.157668D+01  0.576155D+01  0.196623D+01
      3   0.250847D+01  0.214531D+02 -0.938341D+00 -0.122140D+01  0.153971D+02
               266           267           268           269           270 
      1   0.867520D+00  0.197628D+01 -0.356569D+01  0.761960D+01 -0.632836D+00
      2   0.194339D+01  0.171686D+02 -0.915004D+01  0.225981D+02 -0.500505D+01
      3  -0.132075D+02 -0.193682D+01 -0.147178D+01 -0.288860D+01 -0.206929D+02
               271           272           273           274           275 
      1   0.605746D+00  0.384678D+00  0.798872D+00  0.876788D-01 -0.348748D-01
      2  -0.101890D+01  0.175792D-01  0.657406D+01  0.616520D+00 -0.240914D+01
      3  -0.791855D+01 -0.684798D+01 -0.460446D+00  0.335533D+01 -0.378438D+02
               276           277           278           279           280 
      1  -0.976207D+01 -0.287220D+00  0.294420D+00  0.114659D+01  0.458678D+00
      2   0.112069D+02  0.489710D+01  0.765516D+01 -0.311095D+01  0.339085D+01
      3   0.203361D+01 -0.100838D+01  0.265644D+01 -0.763173D+01  0.981255D-01
               281           282           283           284           285 
      1  -0.148216D+00 -0.617229D-01 -0.694337D+00  0.103902D+01 -0.345796D+01
      2  -0.351640D+00  0.753487D+00 -0.222373D+01  0.865841D+01 -0.113580D+02
      3  -0.525211D+00 -0.404574D+00 -0.373487D+01  0.142799D+02 -0.793720D+01
               286           287           288           289           290 
      1   0.119255D+01 -0.941295D+00  0.482984D+01 -0.108392D+00  0.336899D-02
      2   0.496498D+01 -0.131955D+02  0.217598D+02 -0.201757D+01 -0.524910D+00
      3   0.207164D+01 -0.109172D+02  0.123073D+02 -0.146047D+02 -0.980368D+01
               291           292           293           294           295 
      1   0.297786D+00  0.687086D-01 -0.397255D-01 -0.822538D+00  0.753467D+00
      2   0.679879D+01 -0.709802D+00 -0.694963D+00  0.194977D+01  0.402983D+01
      3   0.500839D+00 -0.827954D+01 -0.748121D+01  0.579027D+00  0.578422D+00
               296           297           298           299           300 
      1   0.461058D+00 -0.263212D-01 -0.580274D+00  0.132175D-02 -0.220998D+00
      2  -0.596093D+00 -0.429292D+00 -0.326137D+01 -0.185352D+00  0.322413D+00
      3   0.913391D+00  0.750719D-02  0.603997D+00  0.281898D+00  0.856257D+00
               301           302           303           304           305 
      1   0.906678D+00 -0.223519D+01 -0.408873D+01  0.107611D+01 -0.170283D+01
      2   0.180005D+01 -0.995407D+01 -0.114144D+02  0.391316D+01 -0.129990D+02
      3  -0.382976D+01  0.189738D+02  0.895994D+01 -0.168089D+01  0.125491D+02
               306 
      1  -0.431943D+01
      2  -0.158990D+02
      3   0.121065D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.187670D+01 -0.107998D+02 -0.192414D+02 -0.785006D+01 -0.101048D+02
      2   0.765560D+01  0.407196D+01 -0.404341D+01  0.385019D+01  0.106430D+02
      3  -0.577891D+01  0.672781D+01  0.232848D+02  0.399988D+01 -0.538265D+00
      4  -0.162057D+02 -0.981967D+01 -0.129139D+02 -0.890906D+01  0.524267D+01
      5  -0.171515D+02 -0.150155D+02 -0.970620D+01 -0.120001D+02 -0.134020D+01
      6  -0.218495D+02 -0.719538D+01  0.478408D+01 -0.517234D+01  0.733740D+01
                 6             7             8             9            10 
      1   0.175783D+01 -0.135129D+02  0.263464D+01  0.142722D+02  0.981006D+01
      2   0.766530D+01 -0.344815D+01  0.667590D+01 -0.629877D+01 -0.209669D+02
      3  -0.942313D+01  0.169610D+02 -0.931054D+01 -0.797344D+01  0.111569D+02
      4  -0.987656D+00 -0.749880D+01 -0.847609D-01 -0.446690D+00  0.959583D+00
      5  -0.621473D+01 -0.261813D+01 -0.521326D+01  0.108190D+02  0.409834D+01
      6  -0.536906D+01  0.420941D+01 -0.730730D+01 -0.899742D+01  0.540397D+01
                11            12            13            14            15 
      1  -0.173590D+01 -0.475862D+00 -0.298415D+01 -0.370968D+00 -0.480421D+01
      2  -0.167464D+01  0.891327D+01 -0.719469D+00 -0.311304D+01  0.117870D+02
      3   0.341054D+01 -0.843741D+01  0.370362D+01  0.348400D+01 -0.698278D+01
      4  -0.170977D+02  0.633747D+01 -0.129596D+02 -0.243561D+01  0.986671D+01
      5   0.531712D+01 -0.430721D+01  0.458219D+01  0.775140D+01  0.392904D+01
      6   0.831609D+01 -0.615833D+01  0.626724D+01  0.993480D+01  0.147711D+01
                16            17            18            19            20 
      1  -0.239057D+01 -0.627635D+01 -0.422478D+01 -0.241955D-01  0.538861D+01
      2   0.861003D+01  0.147896D+02  0.969847D+01 -0.949121D-01 -0.570718D+01
      3  -0.621947D+01 -0.851325D+01 -0.547368D+01  0.119108D+00  0.318570D+00
      4   0.378448D+01  0.101457D+02 -0.362731D+01  0.946241D+01 -0.417521D+01
      5  -0.407581D+01  0.366915D+00 -0.509296D+01 -0.901038D+00  0.111245D+02
      6  -0.509061D+01  0.131228D+01 -0.343492D+01  0.114901D+02  0.545916D+00
                21            22            23            24            25 
      1   0.694139D+01  0.490767D+01  0.439639D+01 -0.108371D+01  0.110065D+02
      2   0.105783D+02 -0.621694D+01  0.104700D+01 -0.903671D+01  0.533406D+01
      3  -0.175196D+02  0.130927D+01 -0.544339D+01  0.101204D+02 -0.163405D+02
      4   0.793590D+01 -0.402041D+01 -0.691166D+01 -0.977706D+01  0.654487D+01
      5  -0.152627D+02  0.105423D+02 -0.104978D+02  0.119716D+02 -0.200286D+02
      6   0.996670D+01 -0.285265D+01 -0.827737D+01 -0.806736D+01  0.824531D+01
                26            27            28            29            30 
      1  -0.176761D+01 -0.165542D+02 -0.384338D+00  0.159991D+01 -0.927601D+01
      2  -0.598501D+01  0.101576D+02  0.812841D+01 -0.296866D+01 -0.699554D+01
      3   0.775262D+01  0.639658D+01 -0.774407D+01  0.136876D+01  0.162716D+02
      4  -0.537612D+01  0.142353D+02  0.162318D+01  0.170569D+01 -0.504262D+00
      5   0.135549D+02 -0.778646D+01 -0.643206D+00 -0.428396D+01 -0.688330D+01
      6  -0.496442D+01  0.905806D+01 -0.746822D+01  0.390045D+00 -0.298886D+01
                31            32            33            34            35 
      1   0.155439D+01  0.132333D+02  0.210996D+01 -0.120972D+02  0.279937D+01
      2  -0.451542D+01 -0.200811D+02  0.106204D+02 -0.472084D+01  0.460603D+01
      3   0.296103D+01  0.684779D+01 -0.127304D+02  0.168180D+02 -0.740540D+01
      4   0.234042D+01  0.202262D+00  0.157372D+01 -0.193582D+01 -0.293534D+00
      5  -0.523623D+01  0.633444D+01  0.213960D+01 -0.255743D+01 -0.306794D+00
      6   0.282424D+01  0.192130D+02 -0.141060D+01 -0.453607D+01  0.148253D+01
                36            37            38            39            40 
      1  -0.268763D+01 -0.341780D+02  0.264190D+01  0.990984D+00  0.910837D+01
      2   0.424083D+01  0.174889D+02 -0.290203D+01 -0.213945D-01 -0.315366D+01
      3  -0.155319D+01  0.166892D+02  0.260130D+00 -0.969589D+00 -0.595470D+01
      4  -0.349522D+01 -0.226235D+01 -0.965744D+01  0.155649D+01 -0.352959D+01
      5   0.904135D+01  0.740499D+00  0.231141D+01 -0.886195D+01  0.321598D+01
      6  -0.710226D+01  0.449492D+01 -0.136599D+01 -0.979044D+00 -0.218289D+01
                41            42            43            44            45 
      1   0.327641D+01 -0.133465D+01  0.433911D+01 -0.264329D+01  0.849131D+01
      2  -0.183808D+00 -0.223232D+01 -0.273071D+00  0.190202D+01 -0.282369D+01
      3  -0.309260D+01  0.356697D+01 -0.406604D+01  0.741275D+00 -0.566761D+01
      4   0.201469D+00 -0.211256D+01  0.153951D+01  0.889467D-01 -0.686782D+00
      5  -0.255457D+01 -0.260159D+01 -0.347307D+01 -0.195038D+01 -0.279056D+01
      6  -0.559987D+01 -0.810524D+01  0.806480D+00 -0.589438D+01 -0.668034D+00
                46            47            48            49            50 
      1  -0.173281D+02  0.759322D+01 -0.292616D+01  0.129012D+02 -0.635310D+01
      2   0.290768D+01  0.840478D-01  0.760941D-01 -0.546437D+01 -0.475757D+01
      3   0.144204D+02 -0.767727D+01  0.285007D+01 -0.743684D+01  0.111107D+02
      4   0.119416D+02 -0.215487D+01 -0.157922D+01 -0.633256D+00  0.454690D+00
      5  -0.338213D+01 -0.494723D+01  0.384624D+01 -0.423742D+01 -0.492118D+01
      6  -0.843990D+01  0.691563D+00  0.118669D+01  0.948707D+00 -0.596596D+01
                51            52            53            54            55 
      1   0.546042D+01 -0.737901D+01  0.854727D+01 -0.180836D+01  0.204313D+02
      2  -0.926341D+01  0.147369D+01 -0.129557D+02 -0.417314D+00 -0.122755D+02
      3   0.380299D+01  0.590532D+01  0.440844D+01  0.222568D+01 -0.815585D+01
      4  -0.697366D+01  0.167006D+01 -0.982611D+01  0.127255D+01  0.256295D+02
      5   0.124603D+00  0.238491D+01 -0.162778D+01  0.688692D+01  0.287633D+02
      6   0.567721D+01  0.373612D+00  0.227042D+01  0.341140D+01  0.171904D+02
                56            57            58            59            60 
      1   0.394669D+01  0.462831D+01  0.372954D+01  0.125322D+01 -0.116050D+01
      2   0.404988D+00 -0.629721D+01  0.130452D+01  0.364498D+01 -0.343212D+00
      3  -0.435168D+01  0.166890D+01 -0.503405D+01 -0.489820D+01  0.150371D+01
      4   0.179830D+02  0.139133D+02  0.156842D+02  0.138279D+02  0.820814D+01
      5   0.151624D+02  0.208294D+02  0.111489D+02  0.107191D+02  0.835111D+01
      6   0.141328D+02  0.124054D+02  0.105082D+02  0.112461D+02  0.103052D+02
                61            62            63            64            65 
      1   0.280445D+01 -0.110062D+01 -0.577873D+00 -0.802038D+01  0.887986D+01
      2  -0.450901D+01 -0.221293D+01 -0.511370D+01 -0.222050D+01 -0.364938D+01
      3   0.170455D+01  0.331355D+01  0.569157D+01  0.102409D+02 -0.523048D+01
      4   0.778293D+01  0.571063D+01  0.809691D+01 -0.298838D+01  0.263168D+01
      5   0.142101D+02  0.786934D+01  0.125175D+02 -0.540614D+01  0.354213D+01
      6   0.757789D+01  0.863132D+01  0.109202D+02  0.100263D+02 -0.873446D+01
                66            67            68            69            70 
      1   0.167307D+02  0.422269D+01 -0.827811D+01 -0.796997D+01  0.106435D+02
      2   0.379963D+01 -0.270783D+01  0.305641D+01  0.209347D+01  0.219844D+01
      3  -0.205303D+02 -0.151485D+01  0.522170D+01  0.587650D+01 -0.128419D+02
      4   0.493650D+01  0.279862D+01 -0.118487D+01 -0.187569D-01  0.406633D+01
      5   0.718900D+01  0.264445D+01 -0.124156D+01  0.283824D+00  0.636538D+01
      6  -0.141895D+02 -0.431258D+01  0.836483D+01  0.133835D+02 -0.718453D+01
                71            72            73            74            75 
      1  -0.107962D+02 -0.280498D+02 -0.322533D+01  0.107341D+02  0.124597D+01
      2   0.301902D+00 -0.946698D+01  0.139415D+02 -0.190517D+02 -0.100532D+01
      3   0.104943D+02  0.375167D+02 -0.107161D+02  0.831766D+01 -0.240647D+00
      4   0.433851D+00 -0.168803D+01 -0.155936D+02  0.111300D+02 -0.116140D+01
      5   0.849953D+00 -0.174497D+01 -0.223315D+01  0.712031D+00  0.112126D+01
      6   0.147087D+02  0.243574D+02 -0.244671D+00 -0.210172D+01 -0.444092D+01
                76            77            78            79            80 
      1   0.591377D+01 -0.100821D+02 -0.641317D-01  0.614432D+00  0.196800D+00
      2  -0.121727D+02  0.202891D+02 -0.173006D+01 -0.114327D+01 -0.129415D+01
      3   0.625897D+01 -0.102070D+02  0.179420D+01  0.528838D+00  0.109735D+01
      4   0.998860D+01 -0.801955D+01 -0.638190D+00 -0.176678D+00 -0.129934D+01
      5   0.498598D+00 -0.155110D+01 -0.452423D+00  0.248363D+01 -0.656588D+00
      6  -0.141648D+01  0.324059D+00  0.353520D+01 -0.351238D+01  0.526657D+01
                81            82            83            84            85 
      1  -0.211494D+01  0.363818D+01 -0.381205D+01 -0.307883D+00 -0.188451D+01
      2   0.148027D+01  0.820332D+01  0.155236D+02 -0.363309D+01  0.101453D+02
      3   0.634667D+00 -0.118415D+02 -0.117115D+02  0.394097D+01 -0.826076D+01
      4  -0.164444D+01  0.148164D+02  0.189838D+02 -0.630244D+01  0.147350D+02
      5   0.410190D+00 -0.440094D+01 -0.388716D+01  0.518509D+01 -0.260761D+01
      6   0.125567D+01 -0.456051D+01 -0.534153D+01  0.680370D+01 -0.376222D+01
                86            87            88            89            90 
      1  -0.115806D+02  0.340476D+01  0.208097D+00  0.574682D+01 -0.287182D+01
      2   0.301221D+02 -0.854636D+01 -0.360661D+01 -0.120854D+02  0.429254D+01
      3  -0.185414D+02  0.514161D+01  0.339852D+01  0.633860D+01 -0.142072D+01
      4   0.214349D+02 -0.685949D+01 -0.617236D+01 -0.871019D+01  0.708737D+01
      5  -0.540583D+01  0.367532D+01  0.447088D+01  0.450626D+01 -0.469222D+01
      6  -0.910082D+01  0.710659D+01  0.545195D+01  0.936884D+01 -0.746187D+01
                91            92            93            94            95 
      1  -0.268915D+01 -0.266582D+02  0.723837D+01 -0.307558D+02  0.884143D+01
      2   0.866971D+01  0.121100D+02 -0.283586D+01  0.148200D+02 -0.816026D+01
      3  -0.598055D+01  0.145481D+02 -0.440250D+01  0.159358D+02 -0.681166D+00
      4  -0.265406D+02  0.835177D+01 -0.214523D+01  0.583448D+01  0.126855D+02
      5   0.408477D+01 -0.312274D+00  0.150065D+02 -0.167196D+01  0.956012D+01
      6   0.359815D+01 -0.577242D+00 -0.230870D+01 -0.523327D+00 -0.195315D+01
                96            97            98            99           100 
      1  -0.189258D+01  0.683836D+01  0.741005D+00  0.179666D+02  0.959625D+01
      2  -0.188941D+01 -0.170193D+01 -0.540178D+01 -0.677129D+01 -0.121591D+02
      3   0.378199D+01 -0.513643D+01  0.466077D+01 -0.111953D+02  0.256284D+01
      4   0.123405D+02 -0.315494D+01  0.123791D+02 -0.649089D+01 -0.108438D+02
      5  -0.549791D+01  0.164240D+02 -0.405265D+01 -0.169763D+02  0.208481D+02
      6  -0.525237D+00 -0.278208D+01  0.101036D+01  0.388805D+01 -0.869793D+01
               101           102           103           104           105 
      1  -0.309769D+01  0.228212D+01 -0.213760D+01 -0.327767D+01  0.388012D+01
      2   0.378355D+01 -0.115048D+02  0.316580D+01 -0.113444D+01  0.393977D+01
      3  -0.685857D+00  0.922269D+01 -0.102820D+01  0.441211D+01 -0.781989D+01
      4   0.915507D+01 -0.824698D+01  0.954356D+01 -0.949828D+01  0.100178D+02
      5  -0.102878D+02  0.238128D+02 -0.104054D+02  0.118343D+02 -0.128821D+02
      6   0.643557D+01 -0.839955D+01  0.742365D+01 -0.109617D+02  0.148339D+02
               106           107           108           109           110 
      1  -0.948803D+00  0.344397D+01 -0.805466D+01 -0.811472D-01 -0.864032D+00
      2  -0.967831D+01  0.464040D+01 -0.174008D+02  0.268059D+01  0.226463D+01
      3   0.106271D+02 -0.808438D+01  0.254555D+02 -0.259944D+01 -0.140060D+01
      4  -0.633664D+01  0.731476D+01 -0.105002D+02  0.578082D+00  0.546563D+01
      5   0.206495D+02 -0.112416D+02  0.290608D+02 -0.830591D+00 -0.222854D+01
      6  -0.759220D+01  0.117907D+02 -0.151851D+02 -0.275973D+01 -0.137662D+01
               111           112           113           114           115 
      1   0.100147D+01 -0.105727D+01 -0.255713D+02  0.973330D+01  0.266791D+01
      2   0.250287D+00  0.252369D+01  0.360548D+02 -0.771920D+01  0.106988D+00
      3  -0.125175D+01 -0.146642D+01 -0.104835D+02 -0.201410D+01 -0.277490D+01
      4  -0.118055D+01  0.559707D+01  0.163208D+01 -0.124560D+01 -0.107834D+00
      5   0.299378D+01 -0.358050D+01 -0.433816D+01  0.109752D+01  0.265290D+01
      6   0.105813D+01 -0.409028D+01 -0.276479D+02  0.129313D+02  0.175418D+01
               116           117           118           119           120 
      1   0.551010D+01 -0.529403D+01  0.196664D+01 -0.114556D+01  0.463179D+01
      2  -0.237586D+01  0.320428D+01 -0.100038D+02  0.160460D+01  0.768366D+01
      3  -0.313424D+01  0.208975D+01  0.803711D+01 -0.459044D+00 -0.123155D+02
      4   0.135086D+00  0.436613D+00  0.161471D+01  0.145213D+01 -0.152167D+01
      5   0.799101D+00 -0.181796D+01 -0.123594D+02  0.122957D+01  0.130740D+02
      6   0.965021D+01 -0.611925D+01  0.123434D+00 -0.259698D+01  0.211638D+01
               121           122           123           124           125 
      1  -0.170802D+00 -0.368091D+01 -0.346631D+01  0.365675D+01 -0.452286D-01
      2   0.292057D+01  0.855290D+00 -0.493284D+01  0.769073D+01 -0.276082D+01
      3  -0.274976D+01  0.282562D+01  0.839915D+01 -0.113475D+02  0.280605D+01
      4   0.116691D+01 -0.682526D+00 -0.112229D+01 -0.161932D+01 -0.117275D+01
      5   0.440509D+01 -0.296753D+01 -0.396893D+01  0.119918D+02 -0.283081D+00
      6  -0.240625D+01  0.175736D+00  0.447406D+01  0.219886D+01  0.454184D+01
               126           127           128           129           130 
      1  -0.129422D+02  0.833012D+01  0.599787D+00  0.118005D+01  0.444077D+01
      2  -0.134543D+02 -0.309485D+01  0.868213D-01 -0.367225D+00 -0.209337D+01
      3   0.263965D+02 -0.523527D+01 -0.686609D+00 -0.812823D+00 -0.234740D+01
      4   0.185922D+01  0.152072D+01  0.300485D+01  0.193737D+01  0.423798D+01
      5  -0.137048D+02  0.208708D+01  0.151887D+01  0.291358D+01  0.216315D+01
      6  -0.192574D+01  0.267422D+01  0.113181D+01  0.171131D+01  0.127174D+01
               131           132           133           134           135 
      1  -0.885650D+01 -0.486634D+01  0.179115D+01 -0.411097D+01 -0.816560D+01
      2   0.102558D+02  0.440238D+01 -0.160812D+01  0.246692D+01  0.152929D+01
      3  -0.139927D+01  0.463955D+00 -0.183028D+00  0.164405D+01  0.663631D+01
      4   0.285755D+01  0.254065D+01  0.191287D+01  0.214387D+01  0.227457D+01
      5   0.253840D+01  0.261548D+01  0.357814D+01  0.262188D+01  0.414577D+01
      6   0.912620D+01  0.831515D+01  0.119935D+01  0.740868D+01  0.843910D+01
               136           137           138           139           140 
      1   0.202631D+02 -0.845134D+01  0.443238D+01 -0.223852D+02 -0.340611D+01
      2  -0.113466D+02  0.270741D+01 -0.205807D+01  0.123107D+02  0.498665D+01
      3  -0.891657D+01  0.574393D+01 -0.237431D+01  0.100745D+02 -0.158054D+01
      4  -0.701765D+01  0.166940D+02 -0.138054D+01  0.112172D+02 -0.379730D+01
      5   0.305410D+01 -0.112251D+01  0.146737D+02 -0.193400D+01  0.121410D+01
      6  -0.853675D+00 -0.572617D+00  0.622859D+00  0.263722D-02  0.271664D+00
               141           142           143           144           145 
      1   0.443364D+00  0.296174D+01  0.809845D+00 -0.466333D+01  0.117790D+02
      2   0.321529D+00 -0.710104D+00 -0.252598D+00  0.102314D+01 -0.155801D+01
      3  -0.764892D+00 -0.225164D+01 -0.557247D+00  0.364019D+01 -0.102210D+02
      4   0.133921D+01 -0.103385D+01 -0.407715D+00 -0.300812D+01 -0.714444D+01
      5   0.711359D+00  0.144488D+01 -0.170485D+01  0.569056D+00  0.436204D+01
      6   0.511848D+01  0.624274D+00  0.331637D+01 -0.866913D+00  0.258148D+02
               146           147           148           149           150 
      1  -0.655101D+01  0.505308D+01 -0.640701D+01  0.102597D+02  0.633926D+01
      2   0.319580D+01 -0.319127D+01  0.337383D+01  0.907850D+01  0.804064D+01
      3   0.335521D+01 -0.186182D+01  0.303318D+01 -0.193382D+02 -0.143799D+02
      4  -0.896676D+01  0.103288D+02 -0.882106D+01  0.172652D+01  0.582011D+01
      5   0.213525D+02 -0.170247D+02  0.210101D+02  0.446951D+01  0.195569D+01
      6  -0.172563D+01 -0.252356D-01 -0.154186D+01 -0.372539D+01 -0.213640D+02
               151           152           153           154           155 
      1   0.433682D+01  0.308606D+01 -0.637106D+01 -0.131062D+01  0.299478D+02
      2  -0.172684D+01  0.849737D+01 -0.490237D+01  0.126479D+01 -0.150938D+02
      3  -0.260998D+01 -0.115834D+02  0.112734D+02  0.458334D-01 -0.148540D+02
      4   0.611952D+01  0.492767D+01  0.128380D+01  0.303049D+02 -0.415387D+01
      5  -0.133243D+02  0.194766D+01 -0.366386D+01 -0.164353D+02  0.457572D+01
      6  -0.835810D-01 -0.153102D+02 -0.110988D+02 -0.910253D+00 -0.487974D+00
               156           157           158           159           160 
      1  -0.180783D+02  0.355095D+02 -0.794776D+01  0.799383D+01 -0.229256D+02
      2   0.581036D+01 -0.191594D+02  0.569740D+00 -0.431474D+01  0.535136D+01
      3   0.122679D+02 -0.163501D+02  0.737802D+01 -0.367909D+01  0.175742D+02
      4   0.481549D+01 -0.880346D+01 -0.267858D+02 -0.147512D+02  0.726455D+01
      5  -0.210047D+02  0.787808D+01 -0.139187D+02  0.592053D+01 -0.322701D+02
      6  -0.403293D+00 -0.930741D+00  0.972529D+00  0.119909D+01 -0.991637D-01
               161           162           163           164           165 
      1   0.712367D+01 -0.239161D+02  0.938944D+01  0.257686D+02 -0.813877D+01
      2  -0.375512D+01  0.198611D+02 -0.227740D+02 -0.124651D+02 -0.386046D+01
      3  -0.336855D+01  0.405501D+01  0.133846D+02 -0.133035D+02  0.119992D+02
      4  -0.153390D+02  0.473659D+01  0.219726D+02 -0.207197D+02  0.995974D+01
      5   0.502322D+01  0.328285D+02 -0.866183D+01  0.234233D+01 -0.914058D+01
      6   0.549540D+00  0.186383D+01  0.404956D+01 -0.678746D+01  0.819857D+01
               166           167           168           169           170 
      1   0.246538D+02 -0.914195D+01 -0.305495D+00 -0.108501D+02  0.150116D+01
      2  -0.121697D+02  0.773862D+01  0.987832D+01 -0.483519D+01  0.133859D+02
      3  -0.124841D+02  0.140334D+01 -0.957283D+01  0.156853D+02 -0.148871D+02
      4  -0.174617D+02 -0.624960D+01 -0.140758D+02  0.125523D+02 -0.171672D+02
      5   0.206639D+01 -0.115792D+02  0.230182D+01 -0.131131D+02  0.765862D+01
      6  -0.559770D+01  0.123343D+02 -0.129331D+00  0.112518D+02 -0.453640D+01
               171           172           173           174           175 
      1  -0.388149D+01 -0.557899D+01  0.775255D+01 -0.120753D+02  0.628898D+01
      2   0.113304D+02 -0.831842D+00 -0.379901D+01 -0.345976D+01 -0.371578D+01
      3  -0.744890D+01  0.641083D+01 -0.395354D+01  0.155350D+02 -0.257321D+01
      4   0.131613D+02 -0.718210D+01  0.556512D+01 -0.466382D+01  0.612621D+01
      5   0.252850D+02  0.182606D+02 -0.101426D+02  0.120646D+02 -0.107880D+02
      6  -0.193223D+02 -0.144675D+02  0.124902D+02 -0.114370D+02  0.101617D+02
               176           177           178           179           180 
      1  -0.107266D+02  0.862730D+01 -0.599277D+01  0.481502D+01 -0.880489D+01
      2   0.576690D+01 -0.107638D+01 -0.249382D+01  0.353710D-01 -0.300177D+01
      3   0.495967D+01 -0.755092D+01  0.848659D+01 -0.485039D+01  0.118067D+02
      4  -0.382897D+01  0.124546D+01 -0.253400D+01  0.114473D+01 -0.231900D+01
      5   0.547858D+01 -0.481812D+01  0.805962D+01 -0.371530D+01  0.761017D+01
      6  -0.136956D+02  0.144718D+02 -0.648711D+01  0.886545D+01 -0.838801D+01
               181           182           183           184           185 
      1   0.744801D+01 -0.532364D+00  0.460019D+01  0.719190D+00 -0.520732D+01
      2  -0.731314D+01  0.127358D+00  0.731783D+01  0.485527D-02  0.269439D+01
      3  -0.134868D+00  0.405006D+00 -0.119180D+02 -0.724045D+00  0.251293D+01
      4   0.136677D+02  0.109168D+02 -0.844510D+01  0.104576D+02  0.979175D+01
      5  -0.237298D+02 -0.135385D+02  0.192683D+02 -0.133245D+02 -0.104195D+02
      6  -0.134120D+02 -0.115392D+02  0.109323D+02 -0.921146D+01 -0.129170D+02
               186           187           188           189           190 
      1   0.543772D+01  0.195076D+01  0.267248D+01 -0.396029D+01 -0.223173D+01
      2   0.730049D+00  0.472752D+01  0.119510D+01 -0.563794D+01 -0.164855D+01
      3  -0.616776D+01 -0.667828D+01 -0.386758D+01  0.959823D+01  0.388028D+01
      4  -0.680985D+01 -0.460063D+01 -0.403941D+01  0.544762D+01 -0.155748D+00
      5   0.917914D+01  0.131408D+02  0.649831D+01 -0.123664D+02 -0.797944D+00
      6   0.137377D+02  0.662455D+01  0.887596D+01 -0.806458D+01  0.554467D+00
               191           192           193           194           195 
      1  -0.544163D+00 -0.236151D+01 -0.111804D+01 -0.897976D+01 -0.147585D+02
      2  -0.413325D+00  0.304519D+00 -0.279248D+00 -0.390143D+01 -0.115237D+02
      3   0.957488D+00  0.205699D+01  0.139728D+01  0.128812D+02  0.262822D+02
      4   0.293873D+01 -0.144079D+00  0.277331D+01 -0.576928D+01 -0.317608D+01
      5   0.136812D+01  0.691096D+01  0.382459D+01 -0.279898D+01 -0.473704D+01
      6   0.948314D+00  0.604814D+00  0.686706D+00  0.209337D+02  0.158640D+02
               196           197           198           199           200 
      1  -0.140415D+01 -0.735690D+01 -0.139055D+02  0.324618D+01  0.560046D+01
      2   0.249442D+00 -0.711639D+01 -0.129960D+02  0.386361D+00 -0.639770D+00
      3   0.115471D+01  0.144733D+02  0.269016D+02 -0.363254D+01 -0.496069D+01
      4  -0.299583D-01 -0.254378D+01 -0.305838D+01  0.656592D+01  0.103857D+02
      5   0.561201D+01 -0.268704D+01 -0.458674D+01  0.366430D+01  0.635326D+00
      6   0.235027D+00  0.127494D+02  0.124699D+02  0.628946D+00  0.632825D-01
               201           202           203           204           205 
      1   0.421409D+01  0.155575D+02  0.414423D+01 -0.170273D+01  0.846404D+01
      2  -0.163365D+01 -0.514584D+01  0.914785D+01  0.223172D+01 -0.332125D+01
      3  -0.258043D+01 -0.104117D+02 -0.132921D+02 -0.528998D+00 -0.514279D+01
      4   0.115181D+01  0.177505D+02  0.424096D+02  0.728914D+01  0.210047D+01
      5   0.312199D+01 -0.416658D+00  0.701259D+01  0.726891D+01  0.584197D+01
      6   0.382565D+00 -0.591948D+00 -0.280235D+00  0.357179D+01  0.520875D+00
               206           207           208           209           210 
      1  -0.258178D+00  0.176095D+01  0.636969D+02 -0.160631D+02  0.176482D+02
      2   0.116731D+01 -0.145565D+01 -0.316716D+02  0.736714D+01 -0.910086D+01
      3  -0.909133D+00 -0.305298D+00 -0.320253D+02  0.869595D+01 -0.854730D+01
      4   0.839077D+01  0.526901D+01 -0.171075D+02  0.119523D+02 -0.477561D+01
      5   0.541098D+01  0.917573D+00  0.188074D+02 -0.490201D+01  0.148636D+02
      6   0.322586D+01  0.135936D+01 -0.475467D+00  0.495754D+00 -0.332044D+00
               211           212           213           214           215 
      1  -0.313907D+02  0.123627D+02 -0.668998D+01  0.323689D+02 -0.666208D+01
      2   0.146158D+02 -0.345480D+01  0.334829D+01 -0.168071D+02  0.332531D+01
      3   0.167749D+02 -0.890787D+01  0.334169D+01 -0.155618D+02  0.333677D+01
      4   0.177850D+02 -0.116698D+02  0.734146D+01 -0.810773D+01  0.957554D+01
      5  -0.813833D+01  0.713833D+01 -0.871856D+01  0.223701D+02 -0.646228D+01
      6   0.137118D+01 -0.122771D+01  0.171729D+01 -0.127672D+01  0.189017D+01
               216           217           218           219           220 
      1   0.159316D+02  0.174558D+02 -0.201779D+01 -0.112742D+02 -0.546149D+01
      2  -0.109919D+02 -0.124109D+02  0.107112D+01  0.880673D+01  0.332083D+01
      3  -0.493975D+01 -0.504491D+01  0.946670D+00  0.246744D+01  0.214066D+01
      4  -0.599603D+01 -0.151880D+01  0.365215D+01 -0.141425D+01  0.659894D+01
      5   0.125412D+02 -0.150727D+02 -0.977425D+00  0.189275D+02  0.207362D+00
      6  -0.167220D+01 -0.682605D+00 -0.958535D+00  0.823709D+00 -0.215649D+01
               221           222           223           224           225 
      1   0.248205D+01 -0.260156D+00 -0.230721D+02 -0.177434D+01  0.131005D+02
      2  -0.159308D+01 -0.170100D+00  0.183052D+02  0.983418D+00 -0.219215D+02
      3  -0.888970D+00  0.430255D+00  0.476689D+01  0.790925D+00  0.882091D+01
      4   0.193685D+01 -0.523605D+01 -0.237461D+01 -0.708451D+01  0.886856D-01
      5  -0.479570D+01 -0.226196D+01  0.320204D+02 -0.100547D+00 -0.487205D+02
      6   0.174002D+00  0.414045D+01  0.908791D+00  0.422905D+01 -0.272479D+01
               226           227           228           229           230 
      1  -0.153306D+02 -0.183136D+02  0.163813D+00 -0.135315D+02 -0.179890D+02
      2   0.152966D+02  0.219604D+02  0.721057D+00  0.146481D+02  0.251301D+02
      3   0.339215D-01 -0.364680D+01 -0.884870D+00 -0.111654D+01 -0.714106D+01
      4   0.919394D+01  0.118808D+01 -0.274829D+01  0.613394D+01 -0.429951D+00
      5   0.525891D+01  0.972773D+00 -0.527245D+00  0.195921D+01  0.273396D+01
      6  -0.398958D+00  0.417152D+01  0.407999D+01  0.184320D+01  0.185593D+01
               231           232           233           234           235 
      1  -0.340211D+00  0.238971D+01  0.551533D+00 -0.364970D+01  0.366799D+01
      2  -0.947473D+00 -0.159754D+00 -0.349187D+01  0.186338D+01 -0.214728D+01
      3   0.128768D+01 -0.222995D+01  0.294034D+01  0.178632D+01 -0.152071D+01
      4   0.873575D+00 -0.255375D+01  0.327771D+01 -0.306746D+00 -0.746271D+01
      5  -0.888897D+00  0.113045D+01 -0.151762D+01 -0.168889D+01 -0.811765D+01
      6   0.383586D+01  0.193124D+01  0.415474D+01  0.139274D+01  0.430871D+01
               236           237           238           239           240 
      1  -0.295070D+01 -0.388952D+01 -0.487870D+00 -0.215374D+01 -0.327385D+01
      2   0.424756D+00  0.505916D+01 -0.822759D+00  0.117439D+01  0.356788D+01
      3   0.252595D+01 -0.116963D+01  0.131063D+01  0.979349D+00 -0.294027D+00
      4   0.750048D+01  0.518417D+01  0.427459D+01 -0.254275D+01 -0.389567D+01
      5   0.333431D+01  0.121022D+02  0.400833D+00 -0.376583D+01 -0.255650D+01
      6  -0.206966D+01 -0.669768D+01 -0.145614D+01  0.407199D+01  0.788903D+01
               241           242           243           244           245 
      1  -0.395702D+01 -0.532089D+01 -0.882838D+01  0.243042D+02 -0.121631D+02
      2   0.592709D+01  0.432925D+01 -0.120418D+02  0.103614D+01 -0.826265D+01
      3  -0.197007D+01  0.991642D+00  0.208701D+02 -0.253403D+02  0.204258D+02
      4   0.834844D+01 -0.104195D+02 -0.135788D+02 -0.355913D+02  0.324706D+02
      5   0.156847D+02 -0.109552D+02 -0.344644D+02  0.552496D+01 -0.311753D+01
      6  -0.965702D+01  0.145325D+02  0.296477D+02 -0.507809D+01  0.341339D+01
               246           247           248           249           250 
      1   0.601521D+01 -0.835494D+01  0.299338D+01 -0.667933D+00  0.100889D+02
      2   0.606256D+00 -0.719477D+01  0.164577D+02 -0.447211D+01  0.998585D+00
      3  -0.662146D+01  0.155497D+02 -0.194511D+02  0.514004D+01 -0.110875D+02
      4  -0.823415D+01  0.246771D+02 -0.281244D+02  0.808590D+01 -0.162339D+02
      5   0.800368D+01 -0.252597D+01  0.511932D+01 -0.388295D+01  0.924250D+01
      6  -0.713762D+01  0.353359D+01 -0.516198D+01  0.523429D+01 -0.779858D+01
               251           252           253           254           255 
      1  -0.219627D+01  0.363306D+01 -0.649014D+01  0.133384D+02 -0.213940D+01
      2  -0.888998D+01  0.143786D+00  0.311478D+01 -0.333975D+01  0.140974D+01
      3   0.110862D+02 -0.377684D+01  0.337536D+01 -0.999864D+01  0.729655D+00
      4   0.177303D+02 -0.108278D+02  0.170967D+02 -0.149375D+02 -0.710446D+00
      5  -0.741260D+01  0.531486D+01 -0.209635D+01 -0.557820D+00 -0.169642D+02
      6   0.786389D+01 -0.525140D+01  0.509992D+00 -0.274539D+00  0.222501D+01
               256           257           258           259           260 
      1  -0.418223D+01 -0.112689D+01 -0.239014D+01 -0.536879D+00 -0.819236D+00
      2  -0.537035D+00 -0.111031D+02  0.235229D+00  0.684155D-01  0.198027D+01
      3   0.471926D+01  0.122300D+02  0.215491D+01  0.468463D+00 -0.116104D+01
      4  -0.281895D+02 -0.437847D+02  0.233314D+01  0.215136D+01  0.402086D+01
      5   0.106012D+01  0.207125D+01 -0.121036D+02  0.622332D+01 -0.472136D+01
      6  -0.103320D+01  0.639899D+00 -0.876759D+01  0.107611D+01  0.426755D+01
               261           262           263           264           265 
      1  -0.204872D+01 -0.269536D+02 -0.365477D+02  0.363979D+01 -0.540900D+02
      2  -0.638142D+01  0.180224D+02  0.164777D+02 -0.229967D+01  0.260074D+02
      3   0.843014D+01  0.893119D+01  0.200700D+02 -0.134012D+01  0.280826D+02
      4  -0.451073D+01 -0.402684D+02  0.726261D+01  0.128504D+01 -0.739761D+01
      5   0.365272D+01  0.368330D+01  0.113705D+01  0.586366D+01  0.130703D+01
      6   0.201988D+01 -0.112824D+01 -0.459990D+00 -0.228593D+01 -0.127835D+00
               266           267           268           269           270 
      1  -0.490685D+01  0.217724D+01  0.577700D+01  0.218097D+01  0.456071D+01
      2   0.396849D+01 -0.365103D+01 -0.199338D+01 -0.424721D+01 -0.508849D+01
      3   0.938365D+00  0.147379D+01 -0.378363D+01  0.206624D+01  0.527779D+00
      4   0.209869D+02  0.335826D+01  0.175742D+01  0.431297D+01  0.367654D+02
      5   0.376898D+01  0.315869D+02 -0.915071D+01  0.388919D+02 -0.883912D+01
      6  -0.207617D+01 -0.109650D+02  0.576597D+01 -0.149079D+02  0.297996D+01
               271           272           273           274           275 
      1   0.162807D+02  0.112724D+02 -0.168256D+01  0.428039D+02 -0.111880D+02
      2  -0.555109D+01 -0.359579D+01  0.598948D+00 -0.134451D+02  0.329116D+02
      3  -0.107296D+02 -0.767665D+01  0.108361D+01 -0.293588D+02 -0.217236D+02
      4   0.178875D+02  0.208722D+02 -0.487445D+00  0.364183D+02  0.760272D+02
      5  -0.124244D+01 -0.444931D+00  0.104572D+02 -0.987247D-01 -0.299653D+01
      6  -0.347770D+00  0.125842D+00  0.505133D+00  0.109122D+01 -0.278187D+00
               276           277           278           279           280 
      1   0.209567D+01 -0.353886D+01  0.106082D+01  0.237489D+00  0.787506D+01
      2  -0.110637D+01  0.173345D+01 -0.150501D+01  0.781801D+00 -0.471258D+01
      3  -0.989304D+00  0.180541D+01  0.444193D+00 -0.101929D+01 -0.316248D+01
      4  -0.303837D+01 -0.144860D+01 -0.438166D+01  0.167563D+02 -0.183471D+01
      5   0.172589D+02  0.137242D+02  0.157422D+02 -0.445381D+01  0.703458D+01
      6   0.147211D+02  0.357460D+01  0.113257D+02 -0.209677D+01 -0.303644D+01
               281           282           283           284           285 
      1  -0.236512D+01  0.762832D+01 -0.825048D+01  0.708405D+00  0.177914D+01
      2   0.127831D+01 -0.354847D+01  0.285050D+01  0.427421D+01 -0.216940D+01
      3   0.108681D+01 -0.407985D+01  0.539998D+01 -0.498261D+01  0.390256D+00
      4   0.236149D+01 -0.326582D+01  0.148927D+02 -0.286212D+02  0.155058D+02
      5  -0.270584D+01  0.443276D+01 -0.661834D+01  0.159687D+02 -0.214509D+02
      6   0.203805D+00 -0.189702D+00  0.322273D+01 -0.926298D+01  0.108858D+02
               286           287           288           289           290 
      1   0.185488D+02 -0.546175D+00 -0.196628D+01  0.990531D+02  0.198914D+02
      2  -0.105308D+02 -0.352681D+00 -0.502887D+01 -0.526104D+02 -0.114007D+02
      3  -0.801805D+01  0.898856D+00  0.699515D+01 -0.464427D+02 -0.849072D+01
      4  -0.128087D+02  0.214457D+02 -0.235547D+02  0.147195D+02  0.141299D+02
      5   0.177054D+02 -0.250623D+02  0.409382D+02 -0.158582D+01 -0.327659D+00
      6  -0.550249D+01  0.126199D+02 -0.147780D+02  0.853176D+00  0.333602D+00
               291           292           293           294           295 
      1  -0.245905D+01  0.420713D+02  0.155449D+02 -0.847026D+00 -0.528410D+01
      2   0.123552D+01 -0.223382D+02 -0.750278D+01  0.656755D+00  0.277296D+01
      3   0.122353D+01 -0.197332D+02 -0.804217D+01  0.190271D+00  0.251114D+01
      4  -0.369787D+00  0.173302D+02  0.134896D+02 -0.100136D+01 -0.421786D+00
      5   0.127600D+02 -0.462786D+00 -0.923783D+00  0.397757D+01  0.142654D+02
      6  -0.745782D+00  0.413625D+00  0.428033D+00  0.190715D+01 -0.217078D+00
               296           297           298           299           300 
      1  -0.800025D+00  0.978075D+01  0.657523D+01 -0.325408D+01 -0.693896D+01
      2   0.810213D+00 -0.592709D+01 -0.295752D+01  0.187509D+01  0.318408D+01
      3  -0.101872D-01 -0.385366D+01 -0.361771D+01  0.137898D+01  0.375489D+01
      4  -0.147549D+01 -0.381580D+00 -0.202077D+01  0.187604D+01  0.245347D+01
      5  -0.173542D-01 -0.735610D+00 -0.597320D+01  0.176372D+01  0.222376D+01
      6   0.270541D+01 -0.180158D+00  0.309037D+01  0.276076D+00  0.311777D+00
               301           302           303           304           305 
      1  -0.104273D+02 -0.530951D+00 -0.309523D+01 -0.170675D+02 -0.680876D+00
      2   0.307823D+01  0.904755D+01  0.507346D+01  0.821883D+01  0.385654D+01
      3   0.734912D+01 -0.851660D+01 -0.197824D+01  0.884871D+01 -0.317567D+01
      4   0.166912D+02 -0.367545D+02 -0.167688D+02  0.115548D+02 -0.235571D+02
      5   0.513229D+01 -0.176968D+02 -0.213127D+02  0.132625D+02 -0.242361D+02
      6  -0.295294D+01  0.103284D+02  0.103332D+02 -0.469418D+01  0.122541D+02
               306 
      1  -0.236886D+01
      2  -0.460461D+00
      3   0.282932D+01
      4  -0.226498D+02
      5  -0.291621D+02
      6   0.118759D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 14:55:50 2021, MaxMem=  5637144576 cpu:           46672.6 elap:            5867.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.18454 -19.13019 -10.31931 -10.23978 -10.19773
 Alpha  occ. eigenvalues --  -10.19663 -10.19495 -10.18577 -10.18020 -10.17845
 Alpha  occ. eigenvalues --  -10.17632 -10.17607 -10.17551 -10.17514  -1.09869
 Alpha  occ. eigenvalues --   -1.01135  -0.88317  -0.77462  -0.75947  -0.75454
 Alpha  occ. eigenvalues --   -0.73391  -0.67749  -0.67295  -0.63533  -0.62241
 Alpha  occ. eigenvalues --   -0.57617  -0.53195  -0.52472  -0.49498  -0.48784
 Alpha  occ. eigenvalues --   -0.48397  -0.47192  -0.47056  -0.44788  -0.43832
 Alpha  occ. eigenvalues --   -0.42182  -0.41820  -0.41237  -0.40426  -0.39776
 Alpha  occ. eigenvalues --   -0.39605  -0.38396  -0.38210  -0.36882  -0.36583
 Alpha  occ. eigenvalues --   -0.35486  -0.34160  -0.33544  -0.32419  -0.32272
 Alpha  occ. eigenvalues --   -0.30216  -0.29909  -0.29365  -0.28104
 Alpha virt. eigenvalues --    0.00020   0.00878   0.02186   0.03121   0.03600
 Alpha virt. eigenvalues --    0.04945   0.05138   0.06307   0.06453   0.07003
 Alpha virt. eigenvalues --    0.07394   0.08534   0.09058   0.09296   0.10017
 Alpha virt. eigenvalues --    0.10156   0.10509   0.10871   0.11086   0.11301
 Alpha virt. eigenvalues --    0.12375   0.13352   0.13664   0.13820   0.14122
 Alpha virt. eigenvalues --    0.14919   0.15232   0.15515   0.15902   0.17010
 Alpha virt. eigenvalues --    0.17557   0.17632   0.17908   0.18601   0.19746
 Alpha virt. eigenvalues --    0.19936   0.20130   0.20603   0.21666   0.21992
 Alpha virt. eigenvalues --    0.22655   0.23383   0.23629   0.24239   0.25089
 Alpha virt. eigenvalues --    0.25264   0.25966   0.26438   0.26516   0.27165
 Alpha virt. eigenvalues --    0.27873   0.28579   0.29025   0.29538   0.30024
 Alpha virt. eigenvalues --    0.30190   0.30565   0.30784   0.31077   0.31644
 Alpha virt. eigenvalues --    0.31935   0.32154   0.32625   0.32710   0.33428
 Alpha virt. eigenvalues --    0.33870   0.34014   0.34334   0.34605   0.34947
 Alpha virt. eigenvalues --    0.35351   0.35666   0.35865   0.36265   0.36645
 Alpha virt. eigenvalues --    0.36902   0.37655   0.37763   0.37983   0.38219
 Alpha virt. eigenvalues --    0.38709   0.39055   0.39503   0.39614   0.39886
 Alpha virt. eigenvalues --    0.39986   0.40294   0.40852   0.41214   0.41567
 Alpha virt. eigenvalues --    0.42192   0.42633   0.42782   0.43384   0.43519
 Alpha virt. eigenvalues --    0.44163   0.44588   0.45518   0.45778   0.46312
 Alpha virt. eigenvalues --    0.46432   0.46940   0.47225   0.47471   0.48259
 Alpha virt. eigenvalues --    0.48742   0.48964   0.49345   0.49956   0.50433
 Alpha virt. eigenvalues --    0.50798   0.51157   0.51348   0.51856   0.52373
 Alpha virt. eigenvalues --    0.53008   0.53442   0.53586   0.54229   0.54439
 Alpha virt. eigenvalues --    0.55113   0.55247   0.55536   0.56350   0.56851
 Alpha virt. eigenvalues --    0.57406   0.57603   0.57959   0.58136   0.58279
 Alpha virt. eigenvalues --    0.59100   0.59441   0.60014   0.60363   0.60771
 Alpha virt. eigenvalues --    0.61198   0.61745   0.62055   0.62378   0.63429
 Alpha virt. eigenvalues --    0.63553   0.63888   0.64534   0.64858   0.65617
 Alpha virt. eigenvalues --    0.65841   0.67143   0.67517   0.68089   0.68890
 Alpha virt. eigenvalues --    0.69647   0.70369   0.70873   0.71337   0.71839
 Alpha virt. eigenvalues --    0.72688   0.73437   0.73932   0.74972   0.75390
 Alpha virt. eigenvalues --    0.76707   0.77293   0.77745   0.78068   0.78502
 Alpha virt. eigenvalues --    0.79067   0.79275   0.79831   0.80251   0.81175
 Alpha virt. eigenvalues --    0.81843   0.82655   0.83547   0.84309   0.84789
 Alpha virt. eigenvalues --    0.85281   0.86175   0.87131   0.88534   0.88998
 Alpha virt. eigenvalues --    0.89249   0.90380   0.91291   0.92104   0.93514
 Alpha virt. eigenvalues --    0.94054   0.94715   0.95412   0.95698   0.97075
 Alpha virt. eigenvalues --    0.97522   0.98844   0.99119   0.99528   1.00308
 Alpha virt. eigenvalues --    1.01007   1.01425   1.02059   1.02802   1.03061
 Alpha virt. eigenvalues --    1.04378   1.04907   1.05356   1.06099   1.06968
 Alpha virt. eigenvalues --    1.07859   1.08649   1.09188   1.09470   1.11148
 Alpha virt. eigenvalues --    1.11456   1.13480   1.14521   1.14880   1.16197
 Alpha virt. eigenvalues --    1.17183   1.18779   1.20403   1.21747   1.22443
 Alpha virt. eigenvalues --    1.23142   1.26756   1.28524   1.29775   1.30586
 Alpha virt. eigenvalues --    1.31301   1.32853   1.33748   1.34624   1.35486
 Alpha virt. eigenvalues --    1.35787   1.38144   1.39583   1.40708   1.42426
 Alpha virt. eigenvalues --    1.42637   1.43969   1.45501   1.46270   1.47475
 Alpha virt. eigenvalues --    1.48359   1.49087   1.51557   1.54471   1.54886
 Alpha virt. eigenvalues --    1.56349   1.58229   1.58396   1.58676   1.59521
 Alpha virt. eigenvalues --    1.61538   1.62153   1.64258   1.64453   1.66111
 Alpha virt. eigenvalues --    1.67483   1.67945   1.68186   1.70479   1.71714
 Alpha virt. eigenvalues --    1.74255   1.74810   1.76191   1.77020   1.78464
 Alpha virt. eigenvalues --    1.79292   1.80249   1.81808   1.82657   1.83019
 Alpha virt. eigenvalues --    1.84533   1.85119   1.86329   1.87698   1.88152
 Alpha virt. eigenvalues --    1.88715   1.89922   1.91808   1.92488   1.93077
 Alpha virt. eigenvalues --    1.94288   1.95907   1.96513   1.97533   1.97872
 Alpha virt. eigenvalues --    1.99023   1.99536   2.00138   2.01479   2.02097
 Alpha virt. eigenvalues --    2.03932   2.04616   2.05694   2.06433   2.07039
 Alpha virt. eigenvalues --    2.07319   2.08638   2.09462   2.11486   2.11891
 Alpha virt. eigenvalues --    2.13130   2.13912   2.15305   2.16182   2.16676
 Alpha virt. eigenvalues --    2.17194   2.19521   2.20896   2.21187   2.22139
 Alpha virt. eigenvalues --    2.23099   2.24582   2.26246   2.27241   2.28157
 Alpha virt. eigenvalues --    2.28321   2.29797   2.30213   2.31378   2.31757
 Alpha virt. eigenvalues --    2.33663   2.34516   2.35960   2.37135   2.39292
 Alpha virt. eigenvalues --    2.40219   2.40814   2.42798   2.44177   2.44548
 Alpha virt. eigenvalues --    2.45429   2.47653   2.48496   2.49702   2.50817
 Alpha virt. eigenvalues --    2.53038   2.54550   2.54651   2.56353   2.57009
 Alpha virt. eigenvalues --    2.60351   2.61554   2.62073   2.64675   2.66775
 Alpha virt. eigenvalues --    2.68765   2.69133   2.69761   2.70407   2.71337
 Alpha virt. eigenvalues --    2.71517   2.73368   2.74036   2.74322   2.79608
 Alpha virt. eigenvalues --    2.81400   2.81778   2.83663   2.85001   2.87131
 Alpha virt. eigenvalues --    2.88659   2.93470   2.97965   2.98337   3.01896
 Alpha virt. eigenvalues --    3.03706   3.04515   3.05765   3.06415   3.07903
 Alpha virt. eigenvalues --    3.08674   3.10648   3.11907   3.14240   3.15826
 Alpha virt. eigenvalues --    3.16322   3.18376   3.18664   3.19492   3.20882
 Alpha virt. eigenvalues --    3.21642   3.26096   3.27521   3.28643   3.29124
 Alpha virt. eigenvalues --    3.31499   3.33029   3.33838   3.41912   3.64936
 Alpha virt. eigenvalues --    3.78082   3.85224
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.233371  -0.153921  -0.031663   0.088352  -0.215372   0.355138
     2  C   -0.153921   6.325720   0.299968  -0.165262   0.297928  -0.631222
     3  C   -0.031663   0.299968   7.249166  -0.265652   0.445585  -0.499102
     4  C    0.088352  -0.165262  -0.265652   5.852615  -0.466315  -0.041188
     5  C   -0.215372   0.297928   0.445585  -0.466315  10.867527  -2.912056
     6  C    0.355138  -0.631222  -0.499102  -0.041188  -2.912056  20.340167
     7  H    0.293657  -0.185463  -0.130505   0.062404  -0.004141  -0.184226
     8  H   -0.164337   0.146529   0.051144  -0.128423  -0.006511   0.046463
     9  H   -0.031573  -0.609291   0.043473   0.002420   0.344699  -0.458597
    10  H   -0.192121  -0.004140   0.001954  -0.023628  -0.153045   0.164443
    11  C   -0.058488  -0.610909  -2.196230   0.213584  -1.380961  -1.987432
    12  H   -0.170503  -0.030092   0.115834  -0.203357   0.055695  -0.079155
    13  H    0.077993  -0.056099  -0.563120   0.361394  -0.426131   0.080097
    14  H   -0.096464   0.024722   0.077793  -0.346695   0.350875  -0.032288
    15  H   -0.030204   0.052135   0.048614  -0.310727  -0.101913  -0.542860
    16  O    0.019504  -0.064750  -0.019379   0.157297  -2.231337  -0.197531
    17  C   -0.028961  -0.051381   0.090758  -0.029172   0.497104  -3.368948
    18  C   -0.055553  -0.064945   0.143962   0.012333   0.318883  -0.280449
    19  C    0.038052   0.030396   0.198461  -0.074416  -0.116975   0.226857
    20  H    0.002286  -0.026355  -0.010567   0.004964  -0.000463   0.376968
    21  H   -0.000488   0.001939   0.007951  -0.002516   0.042171   0.091871
    22  H    0.000538  -0.009643   0.010677  -0.001892  -0.056280   0.329937
    23  H   -0.016796  -0.080605  -0.013950   0.001087   0.017610  -0.075757
    24  H   -0.036132   0.029543   0.094878  -0.010178  -0.005193   0.022063
    25  H    0.010634  -0.010756  -0.024410  -0.004773   0.036286  -0.219714
    26  H   -0.000317   0.000515  -0.087796   0.018274   0.110357  -0.222291
    27  H   -0.000530  -0.005059  -0.027086   0.012550  -0.010680  -0.063504
    28  H   -0.006341  -0.000855   0.110149  -0.029045   0.014289   0.055557
    29  C    0.002980  -0.008383  -0.021011   0.013132   0.018145  -0.050782
    30  C    0.000653   0.001140  -0.000945   0.009940  -0.012474  -0.011752
    31  O    0.000242  -0.004051   0.006292   0.006781  -0.221996   0.054152
    32  H   -0.000211   0.002452   0.000011  -0.000868   0.030398  -0.007091
    33  H   -0.000033  -0.000002   0.000156  -0.001071   0.007867   0.000984
    34  H   -0.000031  -0.000705  -0.000303  -0.000583   0.020375  -0.002104
               7          8          9         10         11         12
     1  C    0.293657  -0.164337  -0.031573  -0.192121  -0.058488  -0.170503
     2  C   -0.185463   0.146529  -0.609291  -0.004140  -0.610909  -0.030092
     3  C   -0.130505   0.051144   0.043473   0.001954  -2.196230   0.115834
     4  C    0.062404  -0.128423   0.002420  -0.023628   0.213584  -0.203357
     5  C   -0.004141  -0.006511   0.344699  -0.153045  -1.380961   0.055695
     6  C   -0.184226   0.046463  -0.458597   0.164443  -1.987432  -0.079155
     7  H    2.954928  -1.137988   0.392117  -0.735781   0.016700  -0.191729
     8  H   -1.137988   2.533378  -0.472196   0.361154   0.032637   0.115064
     9  H    0.392117  -0.472196   3.485567  -1.578526   0.069566   0.001054
    10  H   -0.735781   0.361154  -1.578526   3.459920  -0.159938   0.008479
    11  C    0.016700   0.032637   0.069566  -0.159938  22.066321  -0.843057
    12  H   -0.191729   0.115064   0.001054   0.008479  -0.843057   2.819284
    13  H   -0.023148   0.026685  -0.014045   0.009174   0.397174  -0.309421
    14  H    0.016068   0.012720   0.016564  -0.009233  -0.088711   0.160925
    15  H    0.011884  -0.012069   0.037915  -0.026204  -0.671909   0.024708
    16  O    0.016796  -0.016252  -0.134801   0.090511   0.484331  -0.035780
    17  C   -0.005656   0.001592   0.194502  -0.095915  -0.029110   0.004961
    18  C   -0.009354  -0.002830   0.021032  -0.009848  -2.667620   0.159107
    19  C   -0.021427   0.003662  -0.000024  -0.002414  -2.254778   0.131377
    20  H    0.001291  -0.000452   0.047685  -0.050919   0.038332  -0.000099
    21  H   -0.001495   0.000838  -0.014690   0.062766  -0.087184   0.002402
    22  H   -0.000430   0.000119  -0.003777   0.005900  -0.156882   0.002435
    23  H    0.066572  -0.004691   0.022372  -0.008236   0.126120   0.008196
    24  H   -0.007286   0.003876  -0.000949   0.007419   0.091865   0.071880
    25  H    0.000189   0.000668   0.003774  -0.007862   0.467366  -0.001932
    26  H   -0.001741   0.002724   0.000591   0.000762   0.276074   0.003263
    27  H   -0.000381   0.000102   0.000291   0.000157   0.457748  -0.003113
    28  H   -0.001040  -0.001028   0.000067   0.000701  -0.051336   0.060682
    29  C    0.000714  -0.006307  -0.010813   0.000300   0.059630  -0.002715
    30  C   -0.000016  -0.000170  -0.006450   0.000558   0.000975  -0.000048
    31  O    0.000072   0.000418   0.001677   0.000051   0.005245  -0.000412
    32  H   -0.000002   0.000001  -0.001041   0.000100  -0.000302  -0.000002
    33  H    0.000000  -0.000002   0.000058  -0.000010  -0.000219   0.000001
    34  H    0.000022  -0.000293  -0.002087  -0.000087  -0.000051  -0.000008
              13         14         15         16         17         18
     1  C    0.077993  -0.096464  -0.030204   0.019504  -0.028961  -0.055553
     2  C   -0.056099   0.024722   0.052135  -0.064750  -0.051381  -0.064945
     3  C   -0.563120   0.077793   0.048614  -0.019379   0.090758   0.143962
     4  C    0.361394  -0.346695  -0.310727   0.157297  -0.029172   0.012333
     5  C   -0.426131   0.350875  -0.101913  -2.231337   0.497104   0.318883
     6  C    0.080097  -0.032288  -0.542860  -0.197531  -3.368948  -0.280449
     7  H   -0.023148   0.016068   0.011884   0.016796  -0.005656  -0.009354
     8  H    0.026685   0.012720  -0.012069  -0.016252   0.001592  -0.002830
     9  H   -0.014045   0.016564   0.037915  -0.134801   0.194502   0.021032
    10  H    0.009174  -0.009233  -0.026204   0.090511  -0.095915  -0.009848
    11  C    0.397174  -0.088711  -0.671909   0.484331  -0.029110  -2.667620
    12  H   -0.309421   0.160925   0.024708  -0.035780   0.004961   0.159107
    13  H    3.803065  -1.315424  -0.899932   0.159656  -0.014936  -0.035394
    14  H   -1.315424   2.505059   0.363451  -0.268290   0.002701   0.009475
    15  H   -0.899932   0.363451   4.174946  -0.620923  -0.072885   0.021147
    16  O    0.159656  -0.268290  -0.620923  12.732930  -0.049289  -0.013298
    17  C   -0.014936   0.002701  -0.072885  -0.049289   6.631686   0.041715
    18  C   -0.035394   0.009475   0.021147  -0.013298   0.041715   6.872859
    19  C   -0.129154   0.007115   0.055710  -0.006310  -0.047799  -0.487043
    20  H    0.001518   0.000205  -0.038286  -0.062121  -0.055590  -0.000778
    21  H   -0.001503   0.000317   0.024996   0.028015  -0.048102   0.008642
    22  H   -0.002236   0.000762   0.013504  -0.000563   0.011652   0.026611
    23  H   -0.001649   0.002171   0.001463  -0.002776   0.031405   0.054616
    24  H   -0.001850  -0.000772   0.001715  -0.000248  -0.003869  -0.202675
    25  H   -0.001119   0.000096   0.003457   0.000829   0.057611  -0.268006
    26  H    0.065111  -0.009197   0.028011   0.000870   0.011007   0.060687
    27  H    0.001126   0.001521  -0.032219  -0.006859   0.039846  -0.008997
    28  H   -0.010944   0.003332   0.010519  -0.004746   0.001657   0.073110
    29  C    0.059006  -0.023600  -0.085092  -1.504698   0.001768  -0.000188
    30  C    0.000479  -0.002092   0.015696  -0.458730   0.000281   0.000003
    31  O    0.002436  -0.012476  -0.051936   0.521831  -0.001628  -0.000530
    32  H   -0.000161   0.000278   0.007717  -0.081984  -0.000094   0.000002
    33  H   -0.000296   0.000540  -0.000012   0.189228  -0.000029   0.000001
    34  H   -0.000297   0.001133   0.003723  -0.114477   0.000107   0.000002
              19         20         21         22         23         24
     1  C    0.038052   0.002286  -0.000488   0.000538  -0.016796  -0.036132
     2  C    0.030396  -0.026355   0.001939  -0.009643  -0.080605   0.029543
     3  C    0.198461  -0.010567   0.007951   0.010677  -0.013950   0.094878
     4  C   -0.074416   0.004964  -0.002516  -0.001892   0.001087  -0.010178
     5  C   -0.116975  -0.000463   0.042171  -0.056280   0.017610  -0.005193
     6  C    0.226857   0.376968   0.091871   0.329937  -0.075757   0.022063
     7  H   -0.021427   0.001291  -0.001495  -0.000430   0.066572  -0.007286
     8  H    0.003662  -0.000452   0.000838   0.000119  -0.004691   0.003876
     9  H   -0.000024   0.047685  -0.014690  -0.003777   0.022372  -0.000949
    10  H   -0.002414  -0.050919   0.062766   0.005900  -0.008236   0.007419
    11  C   -2.254778   0.038332  -0.087184  -0.156882   0.126120   0.091865
    12  H    0.131377  -0.000099   0.002402   0.002435   0.008196   0.071880
    13  H   -0.129154   0.001518  -0.001503  -0.002236  -0.001649  -0.001850
    14  H    0.007115   0.000205   0.000317   0.000762   0.002171  -0.000772
    15  H    0.055710  -0.038286   0.024996   0.013504   0.001463   0.001715
    16  O   -0.006310  -0.062121   0.028015  -0.000563  -0.002776  -0.000248
    17  C   -0.047799  -0.055590  -0.048102   0.011652   0.031405  -0.003869
    18  C   -0.487043  -0.000778   0.008642   0.026611   0.054616  -0.202675
    19  C    6.484440  -0.003167   0.020131   0.000132   0.041499   0.045848
    20  H   -0.003167   0.852473  -0.115995  -0.048492  -0.001480  -0.000481
    21  H    0.020131  -0.115995   1.014028  -0.113101  -0.010342   0.004432
    22  H    0.000132  -0.048492  -0.113101   0.875777   0.001582  -0.001019
    23  H    0.041499  -0.001480  -0.010342   0.001582   1.285776  -0.163995
    24  H    0.045848  -0.000481   0.004432  -0.001019  -0.163995   1.067899
    25  H    0.037273   0.000713   0.031975  -0.003929  -0.147253  -0.077211
    26  H   -0.019935  -0.000030   0.002894   0.001910  -0.006985   0.011336
    27  H   -0.249686  -0.000006  -0.008964   0.029920   0.007446  -0.030397
    28  H   -0.178549  -0.000705  -0.001573   0.002939   0.016057   0.024615
    29  C   -0.002812  -0.000834   0.000189   0.003740   0.000119  -0.000064
    30  C   -0.000054  -0.000720  -0.000022   0.000086  -0.000006   0.000001
    31  O    0.002000  -0.001169  -0.000114   0.001416  -0.000011   0.000012
    32  H   -0.000004  -0.000298   0.000041   0.000140  -0.000000   0.000000
    33  H    0.000001   0.000021   0.000001  -0.000008   0.000000   0.000000
    34  H   -0.000008  -0.000100   0.000000   0.000008   0.000000   0.000000
              25         26         27         28         29         30
     1  C    0.010634  -0.000317  -0.000530  -0.006341   0.002980   0.000653
     2  C   -0.010756   0.000515  -0.005059  -0.000855  -0.008383   0.001140
     3  C   -0.024410  -0.087796  -0.027086   0.110149  -0.021011  -0.000945
     4  C   -0.004773   0.018274   0.012550  -0.029045   0.013132   0.009940
     5  C    0.036286   0.110357  -0.010680   0.014289   0.018145  -0.012474
     6  C   -0.219714  -0.222291  -0.063504   0.055557  -0.050782  -0.011752
     7  H    0.000189  -0.001741  -0.000381  -0.001040   0.000714  -0.000016
     8  H    0.000668   0.002724   0.000102  -0.001028  -0.006307  -0.000170
     9  H    0.003774   0.000591   0.000291   0.000067  -0.010813  -0.006450
    10  H   -0.007862   0.000762   0.000157   0.000701   0.000300   0.000558
    11  C    0.467366   0.276074   0.457748  -0.051336   0.059630   0.000975
    12  H   -0.001932   0.003263  -0.003113   0.060682  -0.002715  -0.000048
    13  H   -0.001119   0.065111   0.001126  -0.010944   0.059006   0.000479
    14  H    0.000096  -0.009197   0.001521   0.003332  -0.023600  -0.002092
    15  H    0.003457   0.028011  -0.032219   0.010519  -0.085092   0.015696
    16  O    0.000829   0.000870  -0.006859  -0.004746  -1.504698  -0.458730
    17  C    0.057611   0.011007   0.039846   0.001657   0.001768   0.000281
    18  C   -0.268006   0.060687  -0.008997   0.073110  -0.000188   0.000003
    19  C    0.037273  -0.019935  -0.249686  -0.178549  -0.002812  -0.000054
    20  H    0.000713  -0.000030  -0.000006  -0.000705  -0.000834  -0.000720
    21  H    0.031975   0.002894  -0.008964  -0.001573   0.000189  -0.000022
    22  H   -0.003929   0.001910   0.029920   0.002939   0.003740   0.000086
    23  H   -0.147253  -0.006985   0.007446   0.016057   0.000119  -0.000006
    24  H   -0.077211   0.011336  -0.030397   0.024615  -0.000064   0.000001
    25  H    1.020281   0.007062   0.016636  -0.035785  -0.000011   0.000000
    26  H    0.007062   1.285817  -0.129759  -0.168216  -0.003559  -0.000008
    27  H    0.016636  -0.129759   0.966140  -0.087272   0.000324  -0.000023
    28  H   -0.035785  -0.168216  -0.087272   1.059344  -0.000273  -0.000001
    29  C   -0.000011  -0.003559   0.000324  -0.000273   6.409899   0.746607
    30  C    0.000000  -0.000008  -0.000023  -0.000001   0.746607   4.417830
    31  O   -0.000039  -0.000741  -0.000429  -0.000084  -0.140017  -0.133387
    32  H    0.000000  -0.000008  -0.000001  -0.000000   0.146343   0.233141
    33  H    0.000000  -0.000002  -0.000000   0.000000   0.082520   0.060243
    34  H    0.000000  -0.000007  -0.000000  -0.000000   0.196982   0.222221
              31         32         33         34
     1  C    0.000242  -0.000211  -0.000033  -0.000031
     2  C   -0.004051   0.002452  -0.000002  -0.000705
     3  C    0.006292   0.000011   0.000156  -0.000303
     4  C    0.006781  -0.000868  -0.001071  -0.000583
     5  C   -0.221996   0.030398   0.007867   0.020375
     6  C    0.054152  -0.007091   0.000984  -0.002104
     7  H    0.000072  -0.000002   0.000000   0.000022
     8  H    0.000418   0.000001  -0.000002  -0.000293
     9  H    0.001677  -0.001041   0.000058  -0.002087
    10  H    0.000051   0.000100  -0.000010  -0.000087
    11  C    0.005245  -0.000302  -0.000219  -0.000051
    12  H   -0.000412  -0.000002   0.000001  -0.000008
    13  H    0.002436  -0.000161  -0.000296  -0.000297
    14  H   -0.012476   0.000278   0.000540   0.001133
    15  H   -0.051936   0.007717  -0.000012   0.003723
    16  O    0.521831  -0.081984   0.189228  -0.114477
    17  C   -0.001628  -0.000094  -0.000029   0.000107
    18  C   -0.000530   0.000002   0.000001   0.000002
    19  C    0.002000  -0.000004   0.000001  -0.000008
    20  H   -0.001169  -0.000298   0.000021  -0.000100
    21  H   -0.000114   0.000041   0.000001   0.000000
    22  H    0.001416   0.000140  -0.000008   0.000008
    23  H   -0.000011  -0.000000   0.000000   0.000000
    24  H    0.000012   0.000000   0.000000   0.000000
    25  H   -0.000039   0.000000   0.000000   0.000000
    26  H   -0.000741  -0.000008  -0.000002  -0.000007
    27  H   -0.000429  -0.000001  -0.000000  -0.000000
    28  H   -0.000084  -0.000000   0.000000  -0.000000
    29  C   -0.140017   0.146343   0.082520   0.196982
    30  C   -0.133387   0.233141   0.060243   0.222221
    31  O    8.482423  -0.015678   0.069547  -0.020558
    32  H   -0.015678   0.631601  -0.006490   0.061987
    33  H    0.069547  -0.006490   0.717747   0.007413
    34  H   -0.020558   0.061987   0.007413   0.623898
 Mulliken charges:
               1
     1  C    1.166640
     2  C    1.560898
     3  C    0.894894
     4  C    1.288634
     5  C    0.846048
     6  C   -4.276648
     7  H   -0.191605
     8  H   -0.386225
     9  H   -0.346563
    10  H   -0.116443
    11  C   -5.558551
    12  H   -0.873929
    13  H   -0.238053
    14  H   -0.352583
    15  H   -0.404141
    16  O   -0.506656
    17  C    2.283010
    18  C    2.283322
    19  C    2.271600
    20  H    0.092649
    21  H    0.060488
    22  H    0.078467
    23  H   -0.149561
    24  H    0.064936
    25  H    0.107949
    26  H   -0.236671
    27  H    0.131160
    28  H    0.144774
    29  C    0.118762
    30  C    0.917043
    31  O   -0.549343
    32  H    0.000024
    33  H   -0.128155
    34  H    0.003830
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.588810
     2  C    1.097892
     3  C    0.020965
     4  C    0.697998
     5  C    0.441908
     6  C   -4.276648
    11  C   -5.558551
    16  O   -0.506656
    17  C    2.514614
    18  C    2.306645
    19  C    2.310863
    29  C    0.118762
    30  C    0.792741
    31  O   -0.549343
 Electronic spatial extent (au):  <R**2>=           2857.0061
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0993    Y=             -1.7768    Z=              0.1078  Tot=              2.0922
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -87.0614   YY=            -92.0462   ZZ=            -87.0091
   XY=             -8.2308   XZ=              0.6214   YZ=              0.3009
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.6441   YY=             -3.3406   ZZ=              1.6964
   XY=             -8.2308   XZ=              0.6214   YZ=              0.3009
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             33.1377  YYY=             -3.4124  ZZZ=             -0.3329  XYY=             -6.6688
  XXY=            -27.7055  XXZ=              1.2339  XZZ=              9.0838  YZZ=              1.4689
  YYZ=              0.1253  XYZ=              2.4210
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2454.5074 YYYY=           -722.1057 ZZZZ=           -683.0917 XXXY=            -85.1223
 XXXZ=             17.9625 YYYX=            -11.1231 YYYZ=             -4.2740 ZZZX=             -1.5438
 ZZZY=              0.7846 XXYY=           -575.8966 XXZZ=           -523.9313 YYZZ=           -230.0681
 XXYZ=             -0.8824 YYXZ=              3.8253 ZZXY=             -3.1670
 N-N= 1.014850156373D+03 E-N=-3.466705050199D+03  KE= 6.124624528819D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 14:55:51 2021, MaxMem=  5637144576 cpu:               5.3 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.99881884D-01-6.82884299D-01 4.29922905D-02
 Polarizability= 1.58276184D+02-2.40980466D+00 1.33105099D+02
                -7.47736341D-01-3.61990215D-01 1.27567661D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.3733    0.3745       -1.0889   -1.0918
 2     -0.3733   -0.3745        0.2007    0.1997      -13.1868  -13.1905
 3      1.0889    1.0918       16.1820   16.1827       -0.1998   -0.1997
 4     -0.2007   -0.1997        0.0000    0.0000        1.0878    1.0918
 5     -2.9953   -2.9922       -1.0878   -1.0918        0.3698    0.3745
 6      0.1998    0.1997       -0.3698   -0.3745       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.1234   -1.1234       -3.2753   -3.2753
 2     -0.5992   -0.5992        0.0000    0.0000       -3.2753   -3.2753
 3     -0.5992   -0.5992       -1.1234   -1.1234        0.0000    0.0000
 4     -1.1234   -1.1234        0.5992    0.5992      -39.5714  -39.5714
 5      3.2753    3.2753       48.5481   48.5481       -0.5992   -0.5992
 6     -8.9767   -8.9767       -3.2753   -3.2753        1.1234    1.1234
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0165    0.0000       -1.5304   -1.4979        4.4394    4.3671
 2      1.4376    1.4979       -0.7593   -0.7989       52.8299   52.7619
 3     -4.4627   -4.3671      -64.7080  -64.7308        0.7706    0.7989
 4      0.8155    0.7989       -0.0295    0.0000       -4.2766   -4.3671
 5     12.0083   11.9689        4.2612    4.3671       -1.4508   -1.4979
 6     -0.8043   -0.7989        1.4894    1.4979        0.0708    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1026    0.0000        3.8460    3.7574       -0.6649   -0.5460
 2     -3.6178   -3.7574      -26.6545  -26.4430        8.4988    8.3214
 3      0.5915    0.5460        7.7273    7.7341       26.4712   26.4430
 4     26.3694   26.4430       -0.1207    0.0000        0.5347    0.5460
 5    -16.3966  -16.0555       -0.1855   -0.5460        3.7051    3.7574
 6    -26.4729  -26.4430       -3.6240   -3.7574        0.0434    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      9.8123    9.8726      -22.1471  -22.0195        5.8809    5.9216
 2     51.6431   51.6937      -13.2252  -12.9562        5.9003    5.9216
 3     51.5748   51.6937      -22.3125  -22.0195       11.1862   11.1873
 4     -8.9406   -9.0633      -41.9569  -41.8211       17.9020   17.9212
 5      5.2870    5.2658       12.1840   12.1681       41.6243   41.8211
 6    -30.5711  -30.0893       -4.8097   -5.2658        8.8810    9.0633
 Full mass-weighted force constant matrix:
 Low frequencies ---  -11.7112   -3.4433   -0.0003    0.0004    0.0007    8.6356
 Low frequencies ---   40.5012   50.2144   73.1277
 Diagonal vibrational polarizability:
       23.6480820       5.0507442      43.4344238
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     40.4956                50.1465                73.1139
 Red. masses --      1.2950                 4.3860                 2.4626
 Frc consts  --      0.0013                 0.0065                 0.0078
 IR Inten    --      1.9027                 0.3207                 1.2786
 RamAct Fr= 1--      0.5004                 0.8916                 0.1615
  Dep-P Fr= 1--      0.7485                 0.7110                 0.7347
  Dep-U Fr= 1--      0.8562                 0.8311                 0.8471
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0000
 Beta2  Fr= 1--      0.0714                 0.1235                 0.0228
 AlphaG Fr= 1--      0.0002                 0.0016                 0.0003
 Gamma2 Fr= 1--      0.0183                 0.0252                 0.0151
 Delta2 Fr= 1--      0.0179                 0.0441                -0.0151
 Raman1 Fr= 1--       2.001                  3.567                  0.646
 ROA1   Fr= 1--       2.329                  3.827                  0.965
 CID1   Fr= 1--       1.164                  1.073                  1.493
 Raman2 Fr= 1--       0.857                  1.482                  0.274
 ROA2   Fr= 1--       0.296                  0.251                  0.482
 CID2   Fr= 1--       0.345                  0.170                  1.763
 Raman3 Fr= 1--       1.714                  2.964                  0.547
 ROA3   Fr= 1--       2.329                  3.827                  0.965
 CID3   Fr= 1--       1.359                  1.291                  1.763
 RC180  Fr= 1--       0.712                  0.662                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02  -0.02    -0.15  -0.04  -0.01     0.10  -0.02   0.03
     2   6     0.00   0.00  -0.02    -0.04  -0.02  -0.04     0.03   0.01   0.06
     3   6     0.00   0.02   0.01    -0.10  -0.03  -0.03     0.01  -0.02  -0.00
     4   6     0.00   0.01   0.01    -0.07  -0.06  -0.13    -0.02   0.06   0.02
     5   6     0.00  -0.00   0.01     0.00  -0.02  -0.14    -0.00   0.04   0.01
     6   6    -0.00  -0.01  -0.00     0.03  -0.01  -0.06     0.00   0.04   0.02
     7   1    -0.00   0.03  -0.02    -0.18  -0.02   0.09     0.14  -0.07  -0.03
     8   1    -0.00   0.03  -0.02    -0.22  -0.07  -0.07     0.16   0.01   0.07
     9   1     0.00   0.01  -0.03    -0.04  -0.02  -0.11     0.03   0.00   0.11
    10   1     0.00  -0.00  -0.03    -0.00  -0.01   0.03     0.01   0.04   0.05
    11   6     0.00   0.00   0.01     0.01   0.01   0.01    -0.02  -0.01  -0.01
    12   1     0.00   0.03   0.01    -0.13  -0.03   0.01    -0.00  -0.06  -0.02
    13   1     0.01   0.02   0.03    -0.05  -0.07  -0.18    -0.10   0.07   0.06
    14   1     0.00   0.02   0.01    -0.13  -0.11  -0.15     0.01   0.13   0.01
    15   1    -0.00  -0.01   0.02     0.03  -0.00  -0.18     0.03   0.03   0.02
    16   8     0.00  -0.00   0.01     0.01  -0.01  -0.18    -0.02   0.01  -0.06
    17   6    -0.00  -0.03  -0.01     0.13   0.01  -0.06    -0.01   0.09   0.03
    18   6     0.00  -0.00  -0.00     0.01   0.03   0.12    -0.00  -0.06  -0.04
    19   6     0.00  -0.01   0.03     0.07   0.02  -0.02    -0.08  -0.01  -0.03
    20   1    -0.00  -0.04  -0.02     0.15   0.00  -0.11     0.01   0.13   0.06
    21   1    -0.00  -0.04  -0.02     0.15   0.03   0.01     0.01   0.07   0.04
    22   1    -0.00  -0.04   0.01     0.18   0.02  -0.07    -0.04   0.11  -0.00
    23   1     0.00   0.00  -0.01    -0.02   0.02   0.19     0.02  -0.04  -0.11
    24   1     0.00   0.00   0.00    -0.02   0.01   0.14    -0.02  -0.04  -0.00
    25   1    -0.00  -0.01  -0.00     0.08   0.09   0.14     0.00  -0.13  -0.04
    26   1     0.00  -0.00   0.03     0.05   0.01  -0.14    -0.06  -0.02   0.09
    27   1     0.01  -0.02   0.03     0.19   0.05   0.01    -0.21  -0.02  -0.06
    28   1    -0.00  -0.00   0.04     0.01   0.00   0.06    -0.02  -0.01  -0.12
    29   6    -0.00  -0.00  -0.02     0.02   0.02   0.08     0.00  -0.03  -0.01
    30   6     0.00   0.01   0.09     0.02   0.03   0.13    -0.04  -0.09  -0.17
    31   8    -0.01  -0.01  -0.10     0.03   0.04   0.27     0.06  -0.01   0.16
    32   1     0.24   0.45   0.38     0.10   0.22   0.25     0.20   0.14  -0.01
    33   1    -0.01  -0.03  -0.39     0.02   0.02  -0.03    -0.03  -0.17  -0.56
    34   1    -0.22  -0.39   0.45    -0.05  -0.14   0.29    -0.35  -0.29   0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --     96.9674               148.6003               195.9384
 Red. masses --      2.9928                 1.6114                 1.5228
 Frc consts  --      0.0166                 0.0210                 0.0344
 IR Inten    --      1.5086                 1.5029                 0.4664
 RamAct Fr= 1--      0.1645                 0.0532                 0.2542
  Dep-P Fr= 1--      0.6340                 0.5263                 0.7341
  Dep-U Fr= 1--      0.7760                 0.6896                 0.8466
 Alpha2 Fr= 1--      0.0003                 0.0002                 0.0001
 Beta2  Fr= 1--      0.0213                 0.0061                 0.0359
 AlphaG Fr= 1--      0.0002                -0.0001                -0.0009
 Gamma2 Fr= 1--      0.0005                -0.0530                -0.0323
 Delta2 Fr= 1--      0.0339                 0.0434                -0.0264
 Raman1 Fr= 1--       0.658                  0.213                  1.017
 ROA1   Fr= 1--       1.138                 -3.699                 -3.950
 CID1   Fr= 1--       1.729                -17.372                 -3.884
 Raman2 Fr= 1--       0.255                  0.073                  0.430
 ROA2   Fr= 1--      -0.259                 -1.619                 -0.565
 CID2   Fr= 1--      -1.013                -22.058                 -1.312
 Raman3 Fr= 1--       0.511                  0.147                  0.861
 ROA3   Fr= 1--       1.138                 -3.699                 -3.950
 CID3   Fr= 1--       2.229                -25.190                 -4.588
 RC180  Fr= 1--       0.552                  0.379                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03  -0.01    -0.06   0.01  -0.01    -0.03  -0.00  -0.03
     2   6     0.06   0.04  -0.01     0.06   0.02  -0.04     0.02   0.01  -0.04
     3   6    -0.05   0.02   0.00    -0.01   0.00  -0.01    -0.01  -0.01  -0.01
     4   6    -0.07   0.10  -0.02     0.01  -0.03  -0.01     0.01  -0.03  -0.01
     5   6    -0.01   0.08  -0.05    -0.01   0.05   0.02    -0.01   0.02   0.02
     6   6     0.02   0.04  -0.01     0.00   0.02  -0.01    -0.00  -0.00  -0.01
     7   1     0.07  -0.02  -0.03    -0.10   0.03   0.09    -0.04  -0.00   0.00
     8   1     0.07   0.08  -0.00    -0.14  -0.02  -0.07    -0.06  -0.00  -0.05
     9   1     0.07   0.06  -0.01     0.10   0.11  -0.10     0.03   0.03  -0.06
    10   1     0.07   0.03  -0.01     0.15  -0.05  -0.02     0.04  -0.02  -0.03
    11   6    -0.03  -0.02   0.02    -0.01  -0.00  -0.00    -0.00   0.00  -0.01
    12   1    -0.09  -0.01   0.02    -0.00   0.03   0.00     0.00   0.01  -0.01
    13   1    -0.14   0.11   0.02     0.05  -0.04  -0.09     0.03  -0.04  -0.06
    14   1    -0.07   0.17  -0.06     0.00  -0.10   0.02     0.00  -0.08   0.02
    15   1     0.02   0.07  -0.04    -0.06   0.08  -0.00    -0.06   0.04   0.00
    16   8    -0.03   0.04  -0.07    -0.00   0.07   0.09    -0.00   0.04   0.09
    17   6     0.09   0.06  -0.01    -0.02  -0.04  -0.02     0.00  -0.06  -0.02
    18   6     0.01  -0.11   0.03     0.01  -0.04   0.03     0.02  -0.00   0.10
    19   6    -0.11  -0.04   0.04    -0.03   0.00  -0.03     0.00   0.03  -0.08
    20   1     0.13   0.11  -0.04    -0.02  -0.04  -0.02     0.13   0.14  -0.02
    21   1     0.13   0.00   0.02    -0.02  -0.06  -0.06     0.13  -0.28  -0.07
    22   1     0.05   0.06  -0.02    -0.04  -0.06   0.02    -0.24  -0.07   0.02
    23   1     0.05  -0.09  -0.06     0.13  -0.14   0.37    -0.09   0.09  -0.21
    24   1    -0.04  -0.10   0.11     0.04  -0.28  -0.23    -0.10   0.20   0.44
    25   1     0.05  -0.21   0.05    -0.11   0.28  -0.02     0.27  -0.31   0.19
    26   1    -0.12  -0.01   0.11    -0.14   0.11  -0.34     0.07  -0.04   0.07
    27   1    -0.17  -0.07   0.03     0.28   0.02   0.04    -0.22   0.11  -0.14
    28   1    -0.10  -0.05   0.01    -0.26  -0.12   0.18     0.15   0.06  -0.28
    29   6     0.02  -0.04  -0.01     0.02   0.01   0.02     0.00   0.02   0.03
    30   6    -0.06  -0.13   0.19    -0.04  -0.06  -0.04    -0.03  -0.02  -0.02
    31   8     0.11  -0.06  -0.09     0.08   0.01   0.00     0.03   0.01  -0.00
    32   1    -0.35  -0.25   0.10    -0.01  -0.05  -0.03    -0.01  -0.03  -0.02
    33   1    -0.00  -0.19   0.50    -0.00  -0.13  -0.12    -0.01  -0.06  -0.07
    34   1     0.11  -0.01   0.07    -0.15  -0.07  -0.03    -0.10  -0.02  -0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    219.6226               223.4060               235.2566
 Red. masses --      1.2783                 1.2787                 2.3707
 Frc consts  --      0.0363                 0.0376                 0.0773
 IR Inten    --      0.1986                 1.7709                 0.5074
 RamAct Fr= 1--      0.4324                 0.3301                 0.2858
  Dep-P Fr= 1--      0.2611                 0.1370                 0.5613
  Dep-U Fr= 1--      0.4141                 0.2411                 0.7190
 Alpha2 Fr= 1--      0.0050                 0.0053                 0.0010
 Beta2  Fr= 1--      0.0298                 0.0133                 0.0343
 AlphaG Fr= 1--     -0.0008                -0.0064                 0.0025
 Gamma2 Fr= 1--     -0.0651                -0.0364                 0.1985
 Delta2 Fr= 1--      0.1325                 0.0377                -0.0633
 Raman1 Fr= 1--       1.730                  1.321                  1.143
 ROA1   Fr= 1--      -2.004                 -2.283                 17.028
 CID1   Fr= 1--      -1.159                 -1.728                 14.893
 Raman2 Fr= 1--       0.358                  0.159                  0.411
 ROA2   Fr= 1--      -2.622                 -1.174                  5.270
 CID2   Fr= 1--      -7.321                 -7.379                 12.821
 Raman3 Fr= 1--       0.716                  0.318                  0.822
 ROA3   Fr= 1--      -2.004                 -2.283                 17.028
 CID3   Fr= 1--      -2.798                 -7.170                 20.713
 RC180  Fr= 1--      -0.172                 -0.518                  0.438
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02  -0.01    -0.04  -0.01   0.01    -0.04   0.01   0.00
     2   6    -0.01  -0.01   0.01    -0.02  -0.00   0.00    -0.01   0.01  -0.00
     3   6     0.01  -0.01  -0.03    -0.02  -0.01  -0.00     0.01   0.01   0.00
     4   6     0.01  -0.01  -0.03    -0.01  -0.03  -0.02     0.03  -0.03  -0.02
     5   6    -0.02   0.01  -0.01     0.00   0.01  -0.00    -0.02   0.01  -0.00
     6   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.01   0.00  -0.00
     7   1     0.08  -0.04  -0.07    -0.05  -0.01   0.02    -0.06   0.03   0.03
     8   1     0.11   0.00   0.03    -0.06  -0.03  -0.00    -0.07  -0.02  -0.01
     9   1    -0.03  -0.04   0.06    -0.02   0.00  -0.01    -0.01   0.00  -0.03
    10   1    -0.06   0.04   0.01    -0.01   0.00   0.02    -0.00   0.01   0.01
    11   6     0.00  -0.00  -0.02    -0.01  -0.00  -0.00     0.00   0.00   0.01
    12   1     0.02  -0.03  -0.04    -0.01  -0.00  -0.00     0.01   0.03   0.02
    13   1     0.03  -0.01  -0.05     0.00  -0.03  -0.05     0.07  -0.04  -0.06
    14   1     0.02  -0.04  -0.01    -0.02  -0.06  -0.01     0.02  -0.09  -0.00
    15   1    -0.05   0.03  -0.02    -0.03   0.03  -0.02    -0.05   0.03  -0.02
    16   8    -0.03   0.01   0.04     0.03   0.05   0.03    -0.04   0.01   0.11
    17   6     0.04   0.03  -0.01    -0.03  -0.02  -0.01     0.26  -0.01  -0.01
    18   6     0.00   0.01  -0.02    -0.01  -0.01  -0.01    -0.03   0.02  -0.12
    19   6     0.04  -0.02   0.05    -0.03  -0.01   0.02    -0.03  -0.00   0.02
    20   1     0.04  -0.00  -0.05    -0.31  -0.47  -0.06     0.32  -0.03  -0.21
    21   1     0.04   0.07   0.05    -0.30   0.43   0.04     0.32   0.01   0.18
    22   1     0.12   0.04  -0.02     0.48  -0.04   0.00     0.41  -0.01  -0.01
    23   1    -0.09   0.09  -0.31    -0.05   0.03  -0.16     0.01  -0.01  -0.03
    24   1    -0.04   0.21   0.23    -0.03   0.09   0.10     0.06  -0.03  -0.28
    25   1     0.14  -0.28   0.04     0.04  -0.15   0.01    -0.18   0.11  -0.16
    26   1    -0.07   0.08  -0.30     0.01  -0.04   0.13     0.04  -0.06   0.26
    27   1     0.47  -0.09   0.15    -0.14  -0.03  -0.01    -0.29  -0.02  -0.05
    28   1    -0.23  -0.09   0.39     0.05   0.03  -0.06     0.14   0.07  -0.17
    29   6    -0.03   0.01   0.02     0.04   0.03   0.01    -0.05   0.00   0.04
    30   6    -0.05  -0.02  -0.01     0.01  -0.01  -0.01    -0.06  -0.02  -0.02
    31   8    -0.03   0.00   0.00     0.08   0.02  -0.01    -0.06  -0.00   0.00
    32   1    -0.05  -0.02  -0.01     0.01  -0.01  -0.01    -0.03  -0.03  -0.03
    33   1    -0.04  -0.04  -0.03     0.03  -0.04  -0.02    -0.05  -0.04  -0.07
    34   1    -0.09  -0.01  -0.01    -0.02  -0.00  -0.01    -0.13  -0.00  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    238.8776               243.1688               269.2593
 Red. masses --      2.2718                 2.9298                 2.3808
 Frc consts  --      0.0764                 0.1021                 0.1017
 IR Inten    --      1.8389                 1.3385                 0.3496
 RamAct Fr= 1--      0.9218                 0.4364                 1.8558
  Dep-P Fr= 1--      0.2752                 0.7481                 0.2008
  Dep-U Fr= 1--      0.4316                 0.8559                 0.3344
 Alpha2 Fr= 1--      0.0102                 0.0000                 0.0252
 Beta2  Fr= 1--      0.0663                 0.0622                 0.1034
 AlphaG Fr= 1--     -0.0138                -0.0000                 0.0149
 Gamma2 Fr= 1--     -0.2573                -0.0242                 0.1136
 Delta2 Fr= 1--     -0.1411                 0.0371                -0.0252
 Raman1 Fr= 1--       3.687                  1.745                  7.423
 ROA1   Fr= 1--     -29.216                 -1.136                 10.100
 CID1   Fr= 1--      -7.924                 -0.651                  1.361
 Raman2 Fr= 1--       0.796                  0.747                  1.241
 ROA2   Fr= 1--      -5.047                 -0.878                  2.928
 CID2   Fr= 1--      -6.342                 -1.175                  2.359
 Raman3 Fr= 1--       1.592                  1.494                  2.482
 ROA3   Fr= 1--     -29.216                 -1.136                 10.100
 CID3   Fr= 1--     -18.357                 -0.761                  4.069
 RC180  Fr= 1--      -0.137                  0.712                 -0.331
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.03   0.03    -0.11   0.08  -0.04    -0.00  -0.01  -0.03
     2   6    -0.04  -0.02   0.02    -0.05   0.04  -0.05     0.12  -0.00  -0.06
     3   6    -0.03  -0.02   0.00     0.01   0.08  -0.01     0.00  -0.01  -0.03
     4   6    -0.01  -0.06  -0.04     0.07  -0.05  -0.01     0.01  -0.02  -0.05
     5   6     0.00  -0.00  -0.02     0.04  -0.04  -0.01    -0.01   0.01  -0.02
     6   6    -0.02  -0.02  -0.00     0.00   0.03  -0.02     0.02  -0.00  -0.04
     7   1    -0.11  -0.00   0.07    -0.16   0.15   0.02    -0.03  -0.01   0.07
     8   1    -0.13  -0.07   0.00    -0.18   0.03  -0.08    -0.08  -0.01  -0.09
     9   1    -0.05  -0.04  -0.01    -0.05   0.05  -0.12     0.18   0.12  -0.13
    10   1    -0.04  -0.01   0.05    -0.02   0.02  -0.04     0.23  -0.11  -0.05
    11   6    -0.02  -0.01   0.00    -0.01   0.02  -0.01     0.04  -0.02  -0.01
    12   1    -0.03  -0.01   0.00     0.05   0.15   0.01    -0.01  -0.01  -0.01
    13   1     0.02  -0.07  -0.09     0.18  -0.05  -0.03     0.02  -0.02  -0.07
    14   1    -0.03  -0.12  -0.02     0.02  -0.13  -0.02     0.01  -0.05  -0.03
    15   1    -0.04   0.03  -0.05     0.05  -0.03  -0.03    -0.01   0.03  -0.04
    16   8     0.05   0.06   0.01     0.04  -0.09   0.07    -0.04   0.01   0.03
    17   6    -0.04   0.04   0.01     0.00   0.17  -0.00    -0.09   0.13  -0.02
    18   6    -0.07   0.04  -0.13     0.06  -0.14   0.02     0.06  -0.03   0.04
    19   6     0.01  -0.06   0.14    -0.15  -0.01   0.03     0.14  -0.06   0.12
    20   1     0.15   0.38   0.11     0.01   0.23   0.08    -0.16   0.09   0.13
    21   1     0.14  -0.27  -0.04     0.01   0.20   0.07    -0.16   0.24  -0.03
    22   1    -0.44   0.07  -0.03    -0.02   0.25  -0.13    -0.06   0.19  -0.13
    23   1    -0.12   0.07  -0.24     0.12  -0.10  -0.09     0.10  -0.06   0.15
    24   1     0.02   0.15  -0.15    -0.05  -0.14   0.16     0.04  -0.11  -0.01
    25   1    -0.15  -0.05  -0.15     0.16  -0.29   0.06     0.06   0.06   0.03
    26   1     0.04  -0.08   0.24    -0.21   0.08  -0.01     0.25  -0.18   0.39
    27   1    -0.01  -0.19   0.14    -0.11  -0.05   0.04    -0.08  -0.16   0.06
    28   1     0.05   0.03   0.20    -0.23  -0.09   0.07     0.33   0.13   0.02
    29   6     0.07   0.04  -0.00     0.02  -0.07   0.03    -0.06   0.01   0.02
    30   6     0.04  -0.00  -0.01     0.12   0.04  -0.02    -0.10  -0.03  -0.00
    31   8     0.13   0.03  -0.01    -0.05  -0.06   0.01    -0.08   0.01   0.01
    32   1     0.03  -0.00  -0.01     0.25   0.03  -0.03    -0.12  -0.03  -0.00
    33   1     0.06  -0.03  -0.02     0.05   0.16  -0.07    -0.07  -0.09  -0.01
    34   1     0.01   0.00  -0.01     0.17   0.04  -0.03    -0.16  -0.02  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    332.2799               349.7798               364.8409
 Red. masses --      2.1932                 2.8499                 2.3566
 Frc consts  --      0.1427                 0.2054                 0.1848
 IR Inten    --      1.6606                 0.9421                 0.6162
 RamAct Fr= 1--      0.2434                 1.8349                 0.2014
  Dep-P Fr= 1--      0.2491                 0.2474                 0.7074
  Dep-U Fr= 1--      0.3988                 0.3967                 0.8286
 Alpha2 Fr= 1--      0.0029                 0.0219                 0.0001
 Beta2  Fr= 1--      0.0162                 0.1213                 0.0278
 AlphaG Fr= 1--      0.0123                -0.0056                 0.0006
 Gamma2 Fr= 1--     -0.2068                 0.4252                -0.1501
 Delta2 Fr= 1--     -0.0343                 0.2016                -0.1575
 Raman1 Fr= 1--       0.974                  7.340                  0.806
 ROA1   Fr= 1--     -20.950                 47.271                -19.445
 CID1   Fr= 1--     -21.514                  6.441                -24.133
 Raman2 Fr= 1--       0.194                  1.456                  0.334
 ROA2   Fr= 1--      -4.688                  8.593                 -2.342
 CID2   Fr= 1--     -24.145                  5.903                 -7.014
 Raman3 Fr= 1--       0.388                  2.911                  0.668
 ROA3   Fr= 1--     -20.950                 47.271                -19.445
 CID3   Fr= 1--     -53.945                 16.237                -29.125
 RC180  Fr= 1--      -0.202                 -0.207                  0.657
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.09     0.05  -0.03  -0.03    -0.09   0.04  -0.02
     2   6     0.17   0.07   0.03     0.16   0.00  -0.06     0.03  -0.06  -0.08
     3   6     0.00   0.00   0.03    -0.08  -0.04  -0.01     0.00   0.01   0.06
     4   6     0.02  -0.04  -0.02    -0.11   0.05   0.01    -0.01   0.03   0.13
     5   6     0.03   0.04   0.00    -0.03   0.02  -0.00    -0.01  -0.05   0.08
     6   6     0.03   0.07   0.04    -0.02  -0.00  -0.02     0.00  -0.10   0.03
     7   1    -0.14   0.01   0.30     0.08  -0.13   0.02    -0.16   0.12   0.07
     8   1    -0.24  -0.09  -0.03     0.03   0.06  -0.08    -0.21   0.01  -0.12
     9   1     0.26   0.27  -0.08     0.25   0.18  -0.10     0.08   0.03  -0.21
    10   1     0.36  -0.09   0.10     0.29  -0.14  -0.08     0.13  -0.18  -0.11
    11   6     0.02   0.04   0.02    -0.07  -0.03  -0.01     0.00  -0.06   0.03
    12   1     0.00  -0.01   0.02    -0.10  -0.08  -0.02     0.01   0.09   0.11
    13   1     0.05  -0.05  -0.10    -0.21   0.06   0.08    -0.04   0.03   0.18
    14   1     0.00  -0.12   0.01    -0.09   0.17  -0.05     0.01   0.10   0.11
    15   1     0.11   0.05  -0.04    -0.02   0.02  -0.00    -0.02  -0.11   0.16
    16   8    -0.02  -0.04  -0.08    -0.01  -0.03   0.09     0.02   0.01  -0.05
    17   6    -0.03  -0.08   0.02     0.03   0.05  -0.02     0.03   0.09   0.08
    18   6     0.02   0.01  -0.11    -0.15   0.12   0.03    -0.03  -0.02  -0.07
    19   6    -0.04   0.05   0.00     0.01  -0.02  -0.01     0.07  -0.02  -0.12
    20   1    -0.05  -0.14  -0.01     0.02   0.03  -0.04     0.03   0.13   0.16
    21   1    -0.05  -0.13  -0.11     0.02   0.10   0.06     0.03   0.20   0.23
    22   1    -0.06  -0.16   0.16     0.11   0.08  -0.08     0.09   0.21  -0.12
    23   1     0.01   0.08  -0.36    -0.29   0.12   0.02    -0.08   0.03  -0.21
    24   1     0.03   0.16   0.01    -0.09   0.23   0.05     0.02   0.11  -0.02
    25   1     0.00  -0.25  -0.10    -0.12   0.16   0.04    -0.07  -0.15  -0.07
    26   1    -0.07   0.09  -0.05     0.01  -0.05  -0.04     0.06  -0.05  -0.32
    27   1     0.01   0.05   0.02     0.06  -0.02   0.01     0.19   0.17  -0.10
    28   1    -0.09  -0.00   0.03    -0.01   0.01   0.04     0.03  -0.09  -0.13
    29   6    -0.03  -0.03  -0.03     0.02  -0.08   0.05     0.01   0.04  -0.03
    30   6    -0.01   0.00   0.01     0.14   0.04  -0.02    -0.05  -0.02   0.01
    31   8    -0.07  -0.03   0.02     0.02  -0.09   0.00     0.02   0.04  -0.00
    32   1    -0.02   0.02   0.02     0.33   0.01  -0.03    -0.14  -0.00   0.02
    33   1    -0.02   0.03   0.04     0.03   0.23  -0.08     0.00  -0.10   0.05
    34   1     0.05  -0.01   0.02     0.23   0.06  -0.04    -0.07  -0.03   0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --    404.1479               432.5107               475.9392
 Red. masses --      2.5491                 2.0021                 2.6144
 Frc consts  --      0.2453                 0.2207                 0.3489
 IR Inten    --      0.3012                 0.1368                 1.1013
 RamAct Fr= 1--      0.6378                 0.1931                 1.1419
  Dep-P Fr= 1--      0.4521                 0.4175                 0.7322
  Dep-U Fr= 1--      0.6227                 0.5891                 0.8454
 Alpha2 Fr= 1--      0.0039                 0.0013                 0.0003
 Beta2  Fr= 1--      0.0662                 0.0190                 0.1609
 AlphaG Fr= 1--     -0.0039                 0.0011                -0.0038
 Gamma2 Fr= 1--      0.0951                -0.0968                -0.1414
 Delta2 Fr= 1--      0.2695                -0.1212                -0.4821
 Raman1 Fr= 1--       2.551                  0.772                  4.568
 ROA1   Fr= 1--      17.751                -13.173                -29.002
 CID1   Fr= 1--       6.958                -17.056                 -6.349
 Raman2 Fr= 1--       0.794                  0.227                  1.931
 ROA2   Fr= 1--       0.126                 -1.354                  0.463
 CID2   Fr= 1--       0.159                 -5.952                  0.240
 Raman3 Fr= 1--       1.588                  0.455                  3.861
 ROA3   Fr= 1--      17.751                -13.173                -29.002
 CID3   Fr= 1--      11.175                -28.954                 -7.511
 RC180  Fr= 1--       0.245                  0.178                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01   0.03    -0.11  -0.09   0.05     0.00   0.01  -0.01
     2   6    -0.07   0.04   0.04    -0.03  -0.04   0.03    -0.00   0.07   0.02
     3   6    -0.08   0.01   0.01     0.08  -0.05  -0.07     0.08   0.01  -0.07
     4   6    -0.10   0.08  -0.02     0.01   0.14   0.06     0.11  -0.05   0.08
     5   6    -0.03   0.05  -0.01     0.02   0.03   0.03    -0.05   0.06   0.09
     6   6    -0.01   0.05   0.01     0.01   0.01  -0.05    -0.11   0.06   0.02
     7   1    -0.03  -0.02  -0.01    -0.25   0.09   0.24    -0.06   0.08   0.07
     8   1    -0.02   0.02   0.06    -0.28  -0.32  -0.03    -0.06  -0.12  -0.02
     9   1    -0.09  -0.01   0.05    -0.04  -0.04  -0.01     0.03   0.14   0.05
    10   1    -0.09   0.09   0.08    -0.01  -0.00   0.14     0.04   0.01   0.00
    11   6    -0.01   0.01   0.01     0.04   0.00  -0.09    -0.10  -0.01  -0.09
    12   1    -0.13  -0.01   0.05     0.12  -0.08  -0.13     0.21   0.03  -0.16
    13   1    -0.18   0.08   0.03    -0.27   0.17   0.26     0.24  -0.07  -0.12
    14   1    -0.10   0.16  -0.06     0.16   0.46   0.01     0.17  -0.26   0.25
    15   1    -0.01   0.06  -0.03     0.00  -0.02   0.10     0.01   0.01   0.13
    16   8    -0.04   0.01   0.06    -0.00   0.00   0.02    -0.07   0.02  -0.09
    17   6    -0.01  -0.02  -0.00     0.01  -0.00  -0.07     0.03  -0.00   0.01
    18   6     0.07  -0.16  -0.09     0.05   0.04   0.01    -0.10  -0.07   0.05
    19   6     0.19   0.03  -0.05    -0.02  -0.04   0.01     0.06  -0.06   0.00
    20   1    -0.00  -0.04  -0.05     0.02  -0.00  -0.10     0.09  -0.01  -0.19
    21   1    -0.00  -0.06  -0.04     0.02  -0.02  -0.07     0.10  -0.04   0.13
    22   1    -0.01  -0.07   0.07     0.01  -0.02  -0.04     0.13  -0.04   0.07
    23   1     0.28  -0.15  -0.16    -0.02   0.03   0.06    -0.08  -0.10   0.15
    24   1     0.02  -0.27  -0.13     0.01   0.05   0.08    -0.22  -0.15   0.12
    25   1    -0.04  -0.30  -0.11     0.17   0.08   0.04     0.05  -0.00   0.09
    26   1     0.28  -0.14  -0.13    -0.07   0.05   0.08     0.17  -0.22   0.05
    27   1     0.26   0.14  -0.03    -0.02  -0.18   0.01     0.10  -0.13   0.01
    28   1     0.27   0.15  -0.04    -0.07  -0.04   0.08     0.16   0.16   0.08
    29   6    -0.01  -0.05   0.04    -0.00  -0.01   0.01    -0.04  -0.03  -0.07
    30   6     0.07   0.03  -0.01     0.00  -0.00  -0.00     0.01   0.05   0.00
    31   8     0.03  -0.05  -0.00    -0.01  -0.01  -0.00     0.07  -0.03   0.02
    32   1     0.20   0.01  -0.02     0.02  -0.01  -0.00     0.02   0.10   0.03
    33   1    -0.01   0.16  -0.05    -0.00   0.01  -0.01    -0.06   0.18   0.06
    34   1     0.12   0.05  -0.03    -0.00   0.01  -0.01     0.19  -0.00   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    515.3474               527.4292               583.7146
 Red. masses --      3.1022                 3.0514                 4.0219
 Frc consts  --      0.4854                 0.5001                 0.8074
 IR Inten    --      2.7768                 2.1562                 1.2722
 RamAct Fr= 1--      1.4174                 2.4901                 1.7673
  Dep-P Fr= 1--      0.5413                 0.1470                 0.5010
  Dep-U Fr= 1--      0.7024                 0.2562                 0.6676
 Alpha2 Fr= 1--      0.0057                 0.0388                 0.0087
 Beta2  Fr= 1--      0.1659                 0.1063                 0.1966
 AlphaG Fr= 1--     -0.0018                 0.0220                 0.0089
 Gamma2 Fr= 1--      0.0182                -0.0775                 0.2177
 Delta2 Fr= 1--      0.1689                -0.0957                 0.0338
 Raman1 Fr= 1--       5.670                  9.960                  7.069
 ROA1   Fr= 1--       7.153                -10.501                 21.984
 CID1   Fr= 1--       1.262                 -1.054                  3.110
 Raman2 Fr= 1--       1.991                  1.276                  2.360
 ROA2   Fr= 1--      -0.914                 -1.095                  4.955
 CID2   Fr= 1--      -0.459                 -0.858                  2.100
 Raman3 Fr= 1--       3.982                  2.552                  4.719
 ROA3   Fr= 1--       7.153                -10.501                 21.984
 CID3   Fr= 1--       1.796                 -4.114                  4.658
 RC180  Fr= 1--       0.405                 -0.488                  0.335
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.08  -0.04     0.02  -0.02   0.03     0.06   0.08   0.21
     2   6     0.02  -0.09  -0.05     0.03   0.04   0.03     0.05  -0.15   0.10
     3   6    -0.01  -0.05  -0.03    -0.04  -0.00  -0.03     0.08   0.14   0.08
     4   6    -0.05  -0.06   0.05    -0.02  -0.01   0.05     0.11   0.10  -0.10
     5   6    -0.11  -0.08   0.04     0.06  -0.12  -0.01    -0.05  -0.10  -0.13
     6   6    -0.10  -0.07   0.00    -0.07   0.04  -0.04    -0.05  -0.12  -0.07
     7   1     0.06  -0.13  -0.11     0.04  -0.08   0.03    -0.04   0.25   0.28
     8   1     0.07  -0.00  -0.02     0.04  -0.01   0.05    -0.08  -0.02   0.12
     9   1     0.13   0.12  -0.07     0.11   0.19   0.05     0.12  -0.01   0.07
    10   1     0.17  -0.28  -0.11     0.14  -0.07   0.03     0.12  -0.27   0.03
    11   6     0.02   0.14  -0.02    -0.13   0.09  -0.05    -0.03   0.00   0.04
    12   1     0.03  -0.08  -0.09     0.06  -0.05  -0.14     0.02  -0.01   0.03
    13   1    -0.10  -0.05   0.11    -0.07   0.01   0.22     0.30   0.10  -0.02
    14   1     0.03   0.01   0.08    -0.03   0.16  -0.06    -0.03   0.01  -0.16
    15   1    -0.17  -0.10   0.08     0.09  -0.13  -0.00    -0.19  -0.13  -0.05
    16   8    -0.06   0.01  -0.02     0.15  -0.08   0.02    -0.06  -0.01  -0.01
    17   6     0.01   0.01   0.02     0.01   0.01  -0.08    -0.02  -0.00  -0.13
    18   6     0.15   0.02  -0.03    -0.11  -0.08   0.01    -0.08  -0.04   0.02
    19   6    -0.04   0.21   0.09     0.02   0.11   0.03    -0.00   0.03  -0.00
    20   1     0.08   0.06  -0.05     0.06   0.02  -0.20    -0.02   0.01  -0.08
    21   1     0.07   0.02   0.21     0.06  -0.04  -0.01    -0.02   0.02  -0.09
    22   1     0.08   0.06  -0.07     0.05  -0.02  -0.03    -0.02   0.04  -0.20
    23   1     0.39   0.02  -0.05     0.07  -0.09   0.02    -0.05  -0.04   0.01
    24   1     0.03  -0.14  -0.02    -0.24  -0.23   0.04    -0.11  -0.05   0.06
    25   1     0.15  -0.08  -0.03    -0.06  -0.14   0.03    -0.04  -0.07   0.03
    26   1    -0.08   0.30   0.17     0.12  -0.05   0.02     0.01  -0.01  -0.10
    27   1    -0.08   0.08   0.08     0.12   0.07   0.05    -0.00   0.20  -0.01
    28   1    -0.08   0.18   0.12     0.08   0.30   0.13     0.02  -0.02  -0.09
    29   6    -0.04  -0.01  -0.03     0.10   0.08   0.02    -0.05   0.01   0.09
    30   6    -0.01   0.05  -0.00     0.01  -0.08   0.01    -0.06   0.07  -0.00
    31   8     0.10  -0.01   0.00    -0.08   0.09  -0.02     0.10  -0.02  -0.04
    32   1     0.03   0.07   0.01    -0.16  -0.10  -0.01     0.13  -0.02  -0.06
    33   1    -0.07   0.16   0.01     0.17  -0.36  -0.00    -0.13   0.17  -0.11
    34   1     0.09   0.03   0.01    -0.23  -0.05   0.00    -0.13   0.16  -0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --    594.1335               620.7999               643.4786
 Red. masses --      3.2791                 2.8896                 4.2901
 Frc consts  --      0.6820                 0.6561                 1.0466
 IR Inten    --      1.0149                 3.8869                 3.4528
 RamAct Fr= 1--      3.6577                 0.8648                16.3530
  Dep-P Fr= 1--      0.2909                 0.0779                 0.0261
  Dep-U Fr= 1--      0.4507                 0.1445                 0.0508
 Alpha2 Fr= 1--      0.0385                 0.0160                 0.3419
 Beta2  Fr= 1--      0.2747                 0.0208                 0.1385
 AlphaG Fr= 1--      0.0169                -0.0270                -0.1147
 Gamma2 Fr= 1--      0.4874                -0.1613                -0.9251
 Delta2 Fr= 1--      0.5429                -0.0715                -0.2582
 Raman1 Fr= 1--      14.631                  3.459                 65.412
 ROA1   Fr= 1--      64.165                -17.771                -97.072
 CID1   Fr= 1--       4.386                 -5.137                 -1.484
 Raman2 Fr= 1--       3.297                  0.250                  1.662
 ROA2   Fr= 1--       7.355                 -3.299                -20.137
 CID2   Fr= 1--       2.231                -13.194                -12.119
 Raman3 Fr= 1--       6.594                  0.500                  3.323
 ROA3   Fr= 1--      64.165                -17.771                -97.072
 CID3   Fr= 1--       9.731                -35.542                -29.209
 RC180  Fr= 1--      -0.099                 -0.711                 -0.898
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.03    -0.01  -0.04  -0.04    -0.00   0.06   0.03
     2   6    -0.00   0.05   0.01    -0.01   0.03  -0.03     0.02   0.17   0.06
     3   6     0.02   0.04  -0.13    -0.01  -0.05   0.03    -0.10   0.01   0.02
     4   6    -0.02   0.04  -0.12    -0.00  -0.05   0.10    -0.08  -0.09   0.09
     5   6    -0.03  -0.09  -0.08     0.02   0.04   0.06     0.03  -0.16   0.02
     6   6    -0.07  -0.01   0.12     0.03   0.04  -0.02    -0.00   0.08  -0.02
     7   1    -0.04   0.11   0.04     0.01  -0.09  -0.07     0.08  -0.10   0.01
     8   1    -0.05  -0.05  -0.04     0.02   0.00  -0.02     0.07   0.14   0.08
     9   1     0.07   0.18  -0.04    -0.05  -0.05  -0.00     0.03   0.18   0.08
    10   1     0.09  -0.12  -0.11    -0.05   0.11   0.03     0.04   0.18   0.09
    11   6     0.00   0.00  -0.10     0.00  -0.00   0.03     0.04  -0.02  -0.05
    12   1    -0.01   0.01  -0.12     0.05   0.01   0.03    -0.09   0.08   0.06
    13   1    -0.07   0.06   0.09    -0.00  -0.06  -0.02    -0.08  -0.08   0.28
    14   1     0.00   0.21  -0.20     0.05  -0.12   0.18    -0.13   0.06  -0.04
    15   1     0.00  -0.03  -0.17     0.11   0.00   0.08     0.13  -0.15  -0.03
    16   8     0.02  -0.04  -0.02    -0.02  -0.01  -0.14     0.01  -0.16   0.05
    17   6    -0.00  -0.05   0.29     0.00   0.02  -0.07     0.00   0.03  -0.11
    18   6     0.03   0.02  -0.00     0.00  -0.00   0.00     0.10   0.05  -0.02
    19   6     0.00  -0.07  -0.03    -0.00   0.01   0.01     0.00  -0.15  -0.06
    20   1     0.03  -0.05   0.18    -0.01   0.01  -0.04     0.03   0.00  -0.22
    21   1     0.04  -0.09   0.35    -0.01   0.02  -0.10     0.03  -0.03  -0.13
    22   1     0.04  -0.09   0.34    -0.01   0.02  -0.06     0.03  -0.03  -0.01
    23   1     0.00  -0.00   0.09     0.00   0.01  -0.03    -0.00   0.05   0.00
    24   1    -0.06  -0.02   0.08     0.04   0.02  -0.04     0.14   0.11  -0.02
    25   1     0.19   0.08   0.04    -0.06  -0.01  -0.02     0.12   0.12  -0.02
    26   1     0.01  -0.06   0.04    -0.00   0.02   0.00    -0.02  -0.10  -0.02
    27   1     0.02  -0.20  -0.02    -0.00   0.02   0.01     0.01  -0.23  -0.06
    28   1    -0.01  -0.00   0.05    -0.01   0.00   0.01    -0.03  -0.16  -0.02
    29   6     0.01   0.03   0.13    -0.01   0.02   0.29    -0.06   0.03  -0.04
    30   6    -0.01   0.01   0.01    -0.02   0.03   0.03    -0.17   0.15  -0.01
    31   8     0.02   0.01  -0.05     0.01  -0.02  -0.11     0.17   0.01   0.01
    32   1     0.14  -0.13  -0.08     0.40  -0.30  -0.16    -0.23   0.19   0.01
    33   1     0.01  -0.04  -0.13    -0.04   0.02  -0.30    -0.19   0.18   0.03
    34   1    -0.23   0.14  -0.08    -0.44   0.32  -0.19    -0.12   0.10   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    663.2653               750.7562               800.3926
 Red. masses --      3.1828                 2.5498                 2.2414
 Frc consts  --      0.8250                 0.8468                 0.8460
 IR Inten    --      2.6282                 2.4463                 2.0604
 RamAct Fr= 1--      4.6406                 4.3084                 3.4471
  Dep-P Fr= 1--      0.1902                 0.5342                 0.2062
  Dep-U Fr= 1--      0.3197                 0.6964                 0.3419
 Alpha2 Fr= 1--      0.0647                 0.0180                 0.0460
 Beta2  Fr= 1--      0.2472                 0.5001                 0.1964
 AlphaG Fr= 1--      0.0437                -0.0062                -0.0258
 Gamma2 Fr= 1--      0.7257                 0.2153                 0.4435
 Delta2 Fr= 1--      0.2375                 0.4255                -0.2555
 Raman1 Fr= 1--      18.562                 17.234                 13.788
 ROA1   Fr= 1--      77.264                 34.283                 34.402
 CID1   Fr= 1--       4.162                  1.989                  2.495
 Raman2 Fr= 1--       2.967                  6.001                  2.357
 ROA2   Fr= 1--      15.517                  1.763                 12.689
 CID2   Fr= 1--       5.230                  0.294                  5.383
 Raman3 Fr= 1--       5.934                 12.001                  4.715
 ROA3   Fr= 1--      77.264                 34.283                 34.402
 CID3   Fr= 1--      13.021                  2.857                  7.297
 RC180  Fr= 1--      -0.361                  0.393                 -0.316
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.07   0.10     0.01   0.06   0.06     0.07   0.09   0.00
     2   6    -0.00  -0.01   0.07     0.08  -0.08   0.01     0.05   0.14   0.01
     3   6    -0.08   0.08   0.03    -0.09   0.06  -0.04     0.07  -0.03  -0.06
     4   6    -0.07  -0.02   0.05    -0.08  -0.02   0.05    -0.06  -0.12   0.03
     5   6    -0.11  -0.00   0.05     0.03   0.02   0.05    -0.10  -0.11  -0.03
     6   6    -0.11  -0.04  -0.03     0.19  -0.08  -0.01     0.04  -0.04   0.00
     7   1     0.07   0.01   0.03     0.01  -0.00   0.15    -0.08   0.18   0.38
     8   1     0.08   0.14   0.14    -0.08   0.12  -0.03    -0.22  -0.11  -0.19
     9   1     0.08   0.15   0.07    -0.12  -0.47  -0.01    -0.08  -0.13   0.22
    10   1     0.10  -0.14   0.02    -0.20   0.21   0.04    -0.22   0.34  -0.11
    11   6     0.03  -0.00  -0.09    -0.06   0.06  -0.18     0.03  -0.02   0.04
    12   1    -0.12   0.04   0.03    -0.01  -0.01  -0.16     0.14  -0.02  -0.10
    13   1     0.17  -0.04  -0.13     0.08  -0.04  -0.08    -0.21  -0.09   0.28
    14   1    -0.12  -0.29   0.15    -0.13  -0.19   0.09     0.04   0.15  -0.04
    15   1    -0.20  -0.04   0.13     0.02   0.00   0.07    -0.21  -0.04  -0.09
    16   8     0.01   0.08  -0.04     0.01   0.00   0.00    -0.05   0.07  -0.01
    17   6    -0.01   0.01  -0.08     0.04  -0.02   0.05     0.01  -0.01  -0.03
    18   6     0.15   0.07  -0.03    -0.02   0.00  -0.04    -0.02  -0.03   0.01
    19   6     0.01  -0.13  -0.05    -0.01   0.04  -0.02     0.01   0.03   0.02
    20   1     0.07   0.04  -0.26    -0.05  -0.04   0.32    -0.02   0.01   0.09
    21   1     0.07  -0.02   0.10    -0.06   0.05  -0.10    -0.03   0.04  -0.06
    22   1     0.09   0.01  -0.10    -0.07   0.03  -0.03    -0.03   0.05  -0.12
    23   1     0.12   0.06   0.04     0.01  -0.03   0.09    -0.08  -0.02  -0.02
    24   1     0.09   0.05   0.03    -0.22  -0.13   0.09     0.06   0.03  -0.03
    25   1     0.28   0.13  -0.00     0.20   0.05   0.02    -0.10  -0.03  -0.01
    26   1    -0.03  -0.06   0.02     0.03   0.01   0.10    -0.02   0.07  -0.01
    27   1    -0.04  -0.23  -0.06     0.03  -0.20  -0.01    -0.02   0.12   0.02
    28   1    -0.02  -0.14  -0.03    -0.00   0.24   0.15    -0.00  -0.04  -0.04
    29   6     0.06   0.01   0.02    -0.02  -0.02   0.00    -0.01   0.01  -0.00
    30   6     0.14  -0.12   0.01    -0.03   0.02   0.00     0.06  -0.06   0.00
    31   8    -0.09   0.02  -0.01     0.00  -0.02   0.00    -0.01   0.02  -0.00
    32   1     0.15  -0.15  -0.01    -0.01   0.02  -0.00     0.11  -0.05   0.01
    33   1     0.19  -0.19  -0.02    -0.06   0.06  -0.01     0.04  -0.01  -0.00
    34   1     0.07  -0.08  -0.01    -0.02   0.03  -0.00     0.11  -0.05  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    835.4460               849.7820               897.2153
 Red. masses --      1.7711                 2.1290                 2.2565
 Frc consts  --      0.7283                 0.9058                 1.0702
 IR Inten    --      3.9228                 0.5607                 1.3251
 RamAct Fr= 1--      4.4690                 2.9121                 2.9389
  Dep-P Fr= 1--      0.0140                 0.0185                 0.2960
  Dep-U Fr= 1--      0.0276                 0.0364                 0.4568
 Alpha2 Fr= 1--      0.0961                 0.0620                 0.0305
 Beta2  Fr= 1--      0.0205                 0.0176                 0.2237
 AlphaG Fr= 1--     -0.1132                -0.0214                 0.0401
 Gamma2 Fr= 1--      0.2583                -0.1956                 0.8422
 Delta2 Fr= 1--      0.2286                -0.0052                 0.3457
 Raman1 Fr= 1--      17.876                 11.648                 11.755
 ROA1   Fr= 1--      32.107                -18.946                 91.914
 CID1   Fr= 1--       1.796                 -1.626                  7.819
 Raman2 Fr= 1--       0.246                  0.212                  2.685
 ROA2   Fr= 1--       4.370                 -4.654                 17.448
 CID2   Fr= 1--      17.746                -21.973                  6.499
 Raman3 Fr= 1--       0.492                  0.424                  5.370
 ROA3   Fr= 1--      32.107                -18.946                 91.914
 CID3   Fr= 1--      65.193                -44.727                 17.117
 RC180  Fr= 1--      -0.945                 -0.927                 -0.086
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.06   0.05     0.07   0.07   0.02     0.02   0.09   0.15
     2   6    -0.05  -0.01  -0.00     0.01  -0.09  -0.08    -0.09   0.10  -0.08
     3   6     0.06  -0.03   0.07     0.09  -0.09   0.16     0.06  -0.10  -0.06
     4   6     0.02  -0.11   0.04    -0.07  -0.05  -0.01    -0.07   0.02  -0.07
     5   6     0.05  -0.02  -0.07     0.05   0.07  -0.02    -0.01   0.06   0.09
     6   6     0.05   0.00   0.01    -0.09   0.06   0.02     0.01  -0.08  -0.00
     7   1     0.08   0.03  -0.34    -0.10   0.31   0.24     0.04   0.18  -0.03
     8   1     0.24   0.22   0.26    -0.23   0.08  -0.26     0.14  -0.01   0.29
     9   1     0.05   0.20  -0.29    -0.05  -0.21   0.11    -0.04   0.21  -0.33
    10   1     0.20  -0.21   0.09    -0.20  -0.01  -0.28     0.08  -0.07  -0.08
    11   6    -0.01   0.03  -0.04    -0.03   0.01  -0.03     0.02  -0.01   0.02
    12   1     0.21   0.04  -0.01     0.11  -0.16   0.09     0.05  -0.35  -0.22
    13   1    -0.25  -0.08   0.29    -0.25  -0.05  -0.10    -0.20   0.00  -0.34
    14   1     0.03   0.23  -0.14    -0.16  -0.01  -0.10     0.03  -0.11   0.09
    15   1    -0.02   0.08  -0.17     0.17   0.12  -0.13     0.03  -0.01   0.17
    16   8    -0.02   0.11  -0.01     0.01  -0.03   0.01     0.04  -0.06  -0.00
    17   6     0.02   0.00  -0.01    -0.04   0.03  -0.01     0.01  -0.05  -0.02
    18   6    -0.03   0.00  -0.01     0.03   0.02  -0.02    -0.01  -0.01   0.01
    19   6     0.00  -0.02  -0.03    -0.01  -0.01  -0.02     0.01   0.01   0.02
    20   1    -0.04  -0.03   0.09     0.04   0.01  -0.28     0.02   0.07   0.17
    21   1    -0.03   0.01  -0.14     0.07  -0.07   0.12    -0.02   0.08   0.12
    22   1    -0.05  -0.02   0.04     0.09  -0.05   0.12    -0.01   0.12  -0.30
    23   1     0.00  -0.02   0.04     0.07   0.00   0.04    -0.03  -0.01  -0.01
    24   1    -0.11  -0.05   0.05    -0.07  -0.04   0.05     0.03   0.01  -0.01
    25   1     0.07   0.02   0.02     0.15   0.02   0.01    -0.05  -0.02  -0.00
    26   1     0.01  -0.03   0.03     0.02  -0.05   0.03    -0.02   0.06   0.01
    27   1     0.03  -0.13  -0.02     0.04  -0.13  -0.01    -0.03   0.04   0.01
    28   1    -0.00   0.06   0.06    -0.00   0.09   0.07    -0.01  -0.05  -0.02
    29   6    -0.02  -0.02   0.00     0.01  -0.00  -0.00     0.02  -0.01   0.00
    30   6    -0.00  -0.02   0.00    -0.01   0.02  -0.00    -0.02   0.04  -0.00
    31   8    -0.02  -0.03   0.01     0.00  -0.00   0.00     0.01  -0.01  -0.00
    32   1     0.09  -0.01   0.01    -0.05   0.02  -0.00    -0.10   0.03  -0.01
    33   1    -0.07   0.10  -0.01     0.01  -0.02   0.00     0.03  -0.05   0.00
    34   1     0.08  -0.01  -0.01    -0.05   0.02   0.00    -0.11   0.04   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    922.8173               931.8169               952.4276
 Red. masses --      2.9725                 2.8888                 1.9633
 Frc consts  --      1.4914                 1.4778                 1.0493
 IR Inten    --      5.2079                 0.4467                 2.5927
 RamAct Fr= 1--      6.1009                 2.9534                 3.9927
  Dep-P Fr= 1--      0.0997                 0.6720                 0.4353
  Dep-U Fr= 1--      0.1812                 0.8038                 0.6065
 Alpha2 Fr= 1--      0.1069                 0.0041                 0.0259
 Beta2  Fr= 1--      0.1843                 0.3957                 0.4036
 AlphaG Fr= 1--      0.0405                 0.0001                -0.0074
 Gamma2 Fr= 1--     -0.6893                -2.7200                -1.3271
 Delta2 Fr= 1--     -0.8622                -0.5281                -1.2584
 Raman1 Fr= 1--      24.403                 11.814                 15.971
 ROA1   Fr= 1--     -93.766               -278.016               -167.666
 CID1   Fr= 1--      -3.842                -23.533                -10.498
 Raman2 Fr= 1--       2.212                  4.748                  4.843
 ROA2   Fr= 1--      -9.647                -61.054                -21.782
 CID2   Fr= 1--      -4.362                -12.859                 -4.497
 Raman3 Fr= 1--       4.423                  9.496                  9.687
 ROA3   Fr= 1--     -93.766               -278.016               -167.666
 CID3   Fr= 1--     -21.199                -29.276                -17.309
 RC180  Fr= 1--      -0.638                  0.608                  0.213
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.01     0.01  -0.11   0.05     0.04  -0.02   0.05
     2   6    -0.00   0.12   0.01    -0.02   0.15  -0.12    -0.02  -0.03  -0.06
     3   6    -0.06   0.01   0.03    -0.01  -0.07   0.19    -0.02   0.02  -0.08
     4   6     0.04   0.00  -0.02     0.12   0.08  -0.02    -0.00  -0.00   0.05
     5   6     0.13  -0.01   0.00    -0.04  -0.04  -0.05     0.01  -0.00  -0.04
     6   6    -0.07  -0.10  -0.02     0.02  -0.03  -0.02     0.01   0.03  -0.01
     7   1     0.02  -0.18   0.20     0.03  -0.20   0.11     0.01  -0.00   0.11
     8   1    -0.08  -0.07  -0.09    -0.01  -0.02   0.00    -0.04  -0.10   0.00
     9   1    -0.00   0.09   0.25    -0.08   0.04  -0.05    -0.03  -0.06  -0.05
    10   1    -0.08   0.14  -0.08    -0.07   0.23  -0.09    -0.04  -0.04  -0.12
    11   6    -0.00   0.01  -0.01    -0.06   0.05  -0.02    -0.12   0.08   0.09
    12   1    -0.12   0.06   0.12    -0.16  -0.14   0.27     0.17  -0.12  -0.33
    13   1     0.04   0.01   0.07     0.17   0.08   0.01     0.11  -0.01   0.08
    14   1    -0.04   0.08  -0.14     0.04   0.03  -0.06    -0.00  -0.01   0.05
    15   1     0.01   0.01   0.02    -0.08  -0.09   0.03     0.02   0.01  -0.07
    16   8     0.13   0.17  -0.02    -0.08  -0.04   0.01     0.03   0.03   0.00
    17   6    -0.06  -0.07  -0.00     0.04  -0.05   0.02     0.03   0.01   0.02
    18   6     0.00   0.01  -0.02     0.02   0.05  -0.03     0.06   0.10   0.05
    19   6     0.00   0.00  -0.00    -0.03  -0.03  -0.05    -0.05  -0.12  -0.00
    20   1     0.09   0.15  -0.01    -0.03   0.02   0.37    -0.04  -0.04   0.10
    21   1     0.05   0.04   0.48    -0.07   0.11   0.00    -0.03   0.01  -0.13
    22   1     0.10   0.15  -0.38    -0.08   0.10  -0.22    -0.05  -0.02   0.08
    23   1     0.06  -0.00   0.02     0.21   0.03   0.04     0.47   0.15  -0.18
    24   1    -0.07  -0.06   0.02    -0.18  -0.13   0.06     0.08  -0.07  -0.13
    25   1     0.08  -0.01   0.01     0.18  -0.01   0.02    -0.24  -0.20  -0.02
    26   1    -0.01   0.03   0.01     0.06  -0.16   0.04     0.09  -0.39  -0.20
    27   1    -0.01  -0.01  -0.01     0.08  -0.23  -0.02     0.06   0.16   0.02
    28   1    -0.01  -0.02   0.00     0.00   0.19   0.13     0.08  -0.01  -0.08
    29   6     0.04  -0.09   0.01    -0.04   0.05  -0.00     0.01  -0.02   0.00
    30   6    -0.11   0.06  -0.00     0.06  -0.05   0.00    -0.02   0.01  -0.00
    31   8    -0.05  -0.13   0.02     0.02   0.07  -0.01    -0.01  -0.02   0.00
    32   1    -0.03   0.07   0.01     0.09  -0.05   0.00    -0.01   0.02   0.00
    33   1    -0.22   0.23  -0.01     0.07  -0.06   0.00    -0.04   0.04  -0.00
    34   1    -0.03   0.07  -0.02     0.09  -0.06   0.00    -0.01   0.01  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    959.4235               963.7622               974.0698
 Red. masses --      1.6099                 1.6562                 1.7766
 Frc consts  --      0.8731                 0.9063                 0.9931
 IR Inten    --      0.2894                 0.6728                 5.8494
 RamAct Fr= 1--      4.7511                 1.4881                 4.7761
  Dep-P Fr= 1--      0.5684                 0.6994                 0.3040
  Dep-U Fr= 1--      0.7248                 0.8231                 0.4662
 Alpha2 Fr= 1--      0.0163                 0.0013                 0.0484
 Beta2  Fr= 1--      0.5740                 0.2041                 0.3711
 AlphaG Fr= 1--      0.0020                 0.0012                 0.0133
 Gamma2 Fr= 1--     -0.2105                 0.5873                 2.2931
 Delta2 Fr= 1--     -0.0079                -0.0952                 2.4397
 Raman1 Fr= 1--      19.004                  5.952                 19.104
 ROA1   Fr= 1--     -20.460                 53.333                298.212
 CID1   Fr= 1--      -1.077                  8.960                 15.610
 Raman2 Fr= 1--       6.887                  2.450                  4.453
 ROA2   Fr= 1--      -4.988                 14.857                 35.518
 CID2   Fr= 1--      -0.724                  6.065                  7.976
 Raman3 Fr= 1--      13.775                  4.899                  8.907
 ROA3   Fr= 1--     -20.460                 53.333                298.212
 CID3   Fr= 1--      -1.485                 10.886                 33.482
 RC180  Fr= 1--       0.450                  0.646                 -0.068
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03  -0.07    -0.02   0.02   0.10     0.07  -0.03   0.05
     2   6    -0.04   0.03   0.04     0.03  -0.02  -0.08    -0.07   0.02  -0.09
     3   6     0.07   0.01   0.03    -0.08  -0.01  -0.04    -0.03  -0.02   0.01
     4   6    -0.08   0.02   0.03     0.09  -0.02  -0.02    -0.02   0.06   0.05
     5   6    -0.02  -0.01  -0.04     0.03  -0.01   0.02    -0.00  -0.09  -0.02
     6   6     0.02  -0.01   0.00    -0.02   0.02  -0.01     0.02   0.06   0.00
     7   1    -0.07   0.16  -0.04     0.09  -0.19   0.05    -0.02   0.09   0.16
     8   1    -0.00  -0.21  -0.04     0.05   0.18   0.12    -0.03  -0.21   0.02
     9   1     0.05   0.21   0.03    -0.06  -0.19  -0.13    -0.02   0.12  -0.15
    10   1     0.11  -0.10   0.08    -0.10   0.10  -0.11     0.01  -0.12  -0.19
    11   6    -0.06  -0.06  -0.01    -0.02  -0.06  -0.01     0.06  -0.01  -0.02
    12   1     0.11   0.07   0.04    -0.12  -0.13  -0.09    -0.18  -0.19   0.02
    13   1     0.06   0.00  -0.12     0.01   0.00   0.17     0.31   0.03   0.01
    14   1    -0.20  -0.16   0.03     0.19   0.17  -0.03    -0.14  -0.18   0.07
    15   1    -0.03  -0.02  -0.02     0.06   0.02  -0.02    -0.11  -0.12   0.05
    16   8     0.03   0.01   0.01    -0.02   0.01  -0.01     0.04   0.07  -0.00
    17   6     0.04  -0.01  -0.01    -0.04   0.02   0.02     0.02   0.07   0.02
    18   6     0.08  -0.02  -0.04     0.07  -0.05  -0.02    -0.02  -0.05   0.03
    19   6    -0.08   0.04   0.03    -0.05   0.04   0.05     0.03   0.04  -0.04
    20   1    -0.04  -0.02   0.19     0.04   0.02  -0.20    -0.04  -0.09  -0.09
    21   1    -0.05   0.05  -0.14     0.06  -0.06   0.14     0.00  -0.06  -0.25
    22   1    -0.08   0.02  -0.06     0.08  -0.03   0.10    -0.03  -0.12   0.33
    23   1    -0.26  -0.04   0.09    -0.35  -0.05   0.06    -0.19  -0.02  -0.05
    24   1     0.15   0.18   0.06     0.24   0.22   0.01     0.15   0.10  -0.06
    25   1     0.24   0.23  -0.01     0.12   0.22  -0.02    -0.18  -0.02  -0.02
    26   1     0.14  -0.34  -0.12     0.09  -0.23  -0.13    -0.03   0.18   0.17
    27   1     0.14   0.21   0.08     0.08   0.29   0.07    -0.01  -0.28  -0.04
    28   1     0.10   0.35   0.07     0.09   0.19  -0.02    -0.06   0.06   0.11
    29   6     0.01  -0.01  -0.00    -0.01   0.01   0.00     0.00  -0.02   0.00
    30   6    -0.01   0.02  -0.00     0.00  -0.02   0.00    -0.03  -0.01   0.00
    31   8    -0.01  -0.02   0.00     0.00   0.01  -0.00    -0.02  -0.03   0.00
    32   1    -0.04   0.02  -0.00     0.06  -0.02   0.01     0.06   0.01   0.01
    33   1    -0.00   0.00   0.00    -0.03   0.04  -0.00    -0.11   0.12  -0.01
    34   1    -0.03   0.01   0.00     0.06  -0.02  -0.01     0.06  -0.00  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    998.5676              1008.0222              1023.8808
 Red. masses --      1.9984                 1.9673                 1.4903
 Frc consts  --      1.1740                 1.1778                 0.9205
 IR Inten    --      4.3657                 1.2269                17.0670
 RamAct Fr= 1--      3.0252                 5.6712                 1.6518
  Dep-P Fr= 1--      0.6987                 0.0347                 0.7499
  Dep-U Fr= 1--      0.8226                 0.0670                 0.8571
 Alpha2 Fr= 1--      0.0027                 0.1162                 0.0000
 Beta2  Fr= 1--      0.4148                 0.0633                 0.2360
 AlphaG Fr= 1--     -0.0052                -0.0739                -0.0003
 Gamma2 Fr= 1--     -1.1278                 0.0603                 0.5194
 Delta2 Fr= 1--     -1.1926                 0.3658                 0.5209
 Raman1 Fr= 1--      12.101                 22.685                  6.607
 ROA1   Fr= 1--    -146.433                 17.494                 66.526
 CID1   Fr= 1--     -12.101                  0.771                 10.069
 Raman2 Fr= 1--       4.977                  0.760                  2.831
 ROA2   Fr= 1--     -17.527                 -1.480                  8.298
 CID2   Fr= 1--      -3.521                 -1.948                  2.930
 Raman3 Fr= 1--       9.955                  1.520                  5.663
 ROA3   Fr= 1--    -146.433                 17.494                 66.526
 CID3   Fr= 1--     -14.710                 11.510                 11.748
 RC180  Fr= 1--       0.645                 -0.866                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.12   0.08     0.02   0.01  -0.03    -0.00   0.00  -0.02
     2   6    -0.02   0.03  -0.10    -0.01  -0.02   0.03    -0.00   0.01  -0.01
     3   6     0.04   0.13  -0.00     0.01   0.02  -0.03     0.01  -0.03   0.01
     4   6    -0.09  -0.02   0.08    -0.05   0.01  -0.05    -0.01   0.01  -0.06
     5   6     0.04   0.03  -0.06     0.14  -0.04   0.09    -0.02  -0.05   0.08
     6   6    -0.00   0.01  -0.03     0.01  -0.00   0.01     0.01   0.02   0.02
     7   1     0.05  -0.15   0.09    -0.04   0.11  -0.02    -0.01   0.01  -0.01
     8   1     0.10  -0.30   0.19    -0.01  -0.10  -0.02    -0.01   0.04  -0.04
     9   1    -0.06  -0.05  -0.18     0.02   0.05   0.01    -0.01   0.00  -0.01
    10   1    -0.01   0.07  -0.03     0.06  -0.08   0.05    -0.01  -0.00  -0.04
    11   6     0.03  -0.00  -0.01    -0.00   0.02   0.01    -0.00   0.01   0.01
    12   1     0.23   0.25  -0.07     0.03  -0.00  -0.06    -0.12  -0.11   0.06
    13   1     0.07  -0.03   0.05    -0.02   0.01  -0.12    -0.07   0.01  -0.09
    14   1    -0.27  -0.11  -0.03    -0.21  -0.06  -0.15     0.06   0.02  -0.01
    15   1     0.13   0.11  -0.20     0.23  -0.04   0.07    -0.08  -0.12   0.18
    16   8    -0.04  -0.02   0.02    -0.04  -0.00   0.01     0.06   0.02  -0.01
    17   6    -0.03  -0.02   0.03    -0.03  -0.03  -0.02     0.03   0.06  -0.01
    18   6    -0.03  -0.01  -0.04     0.00   0.00   0.03    -0.03   0.03  -0.08
    19   6     0.05  -0.01   0.06    -0.03  -0.00  -0.02     0.01  -0.03   0.07
    20   1     0.03   0.04  -0.05     0.05   0.07  -0.05    -0.06  -0.10  -0.04
    21   1     0.03  -0.02   0.20     0.03   0.01   0.17    -0.02  -0.03  -0.30
    22   1     0.05   0.02  -0.02     0.05   0.05  -0.15    -0.05  -0.08   0.23
    23   1    -0.07  -0.05   0.11     0.03   0.03  -0.07     0.09  -0.04   0.16
    24   1    -0.17  -0.06   0.09     0.10   0.03  -0.06    -0.35  -0.16   0.16
    25   1     0.20   0.07   0.02    -0.16  -0.05  -0.01     0.36   0.06   0.03
    26   1    -0.08   0.16  -0.09     0.04  -0.10   0.00    -0.03  -0.02  -0.17
    27   1    -0.11   0.25   0.01     0.04  -0.07  -0.00    -0.07   0.34   0.05
    28   1    -0.00  -0.32  -0.19     0.00   0.11   0.06     0.04  -0.25  -0.19
    29   6    -0.01   0.01  -0.00    -0.09   0.05  -0.00    -0.01  -0.00   0.00
    30   6     0.02  -0.01   0.00    -0.02  -0.14   0.02    -0.04  -0.04   0.00
    31   8     0.01   0.02  -0.00     0.02   0.09  -0.01    -0.01   0.00  -0.00
    32   1     0.02  -0.02  -0.00     0.44  -0.11   0.05     0.14  -0.01   0.02
    33   1     0.02  -0.02  -0.00    -0.29   0.34  -0.03    -0.16   0.18  -0.01
    34   1     0.02  -0.01   0.00     0.40  -0.08  -0.07     0.13  -0.01  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1049.0645              1057.8776              1068.4219
 Red. masses --      2.4918                 2.0512                 1.8246
 Frc consts  --      1.6157                 1.3525                 1.2271
 IR Inten    --     28.4579                61.1047                 7.4996
 RamAct Fr= 1--      0.7584                 2.2483                 0.0517
  Dep-P Fr= 1--      0.6380                 0.5288                 0.5584
  Dep-U Fr= 1--      0.7790                 0.6918                 0.7166
 Alpha2 Fr= 1--      0.0015                 0.0096                 0.0002
 Beta2  Fr= 1--      0.0985                 0.2592                 0.0062
 AlphaG Fr= 1--     -0.0142                -0.0129                 0.0063
 Gamma2 Fr= 1--      0.8950                 0.7576                -0.1245
 Delta2 Fr= 1--      0.0111                -0.0137                -0.0188
 Raman1 Fr= 1--       3.034                  8.993                  0.207
 ROA1   Fr= 1--      86.278                 72.288                -12.554
 CID1   Fr= 1--      28.439                  8.038                -60.651
 Raman2 Fr= 1--       1.182                  3.111                  0.074
 ROA2   Fr= 1--      21.392                 18.292                 -2.837
 CID2   Fr= 1--      18.104                  5.880                -38.251
 Raman3 Fr= 1--       2.363                  6.222                  0.148
 ROA3   Fr= 1--      86.278                 72.288                -12.554
 CID3   Fr= 1--      36.509                 11.619                -84.635
 RC180  Fr= 1--       0.558                  0.384                  0.433
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07   0.02     0.08   0.04  -0.02     0.01   0.00  -0.00
     2   6    -0.00  -0.01  -0.05    -0.09  -0.03   0.04    -0.01  -0.00   0.00
     3   6     0.06   0.11   0.01    -0.11  -0.02  -0.06    -0.01   0.00  -0.01
     4   6    -0.03  -0.05  -0.15     0.04  -0.03   0.03    -0.00  -0.01  -0.00
     5   6     0.03  -0.08   0.20     0.15   0.02   0.02     0.02  -0.00   0.01
     6   6     0.03   0.01   0.04    -0.01  -0.00   0.03     0.00   0.00   0.01
     7   1     0.03  -0.11   0.07    -0.03   0.12   0.22    -0.00   0.01   0.03
     8   1     0.05  -0.23   0.09    -0.13  -0.11  -0.16    -0.01  -0.03  -0.01
     9   1    -0.03  -0.06  -0.10     0.06   0.27   0.12     0.00   0.02   0.01
    10   1    -0.01   0.00  -0.05     0.05  -0.34  -0.22     0.01  -0.04  -0.02
    11   6     0.02   0.05   0.02     0.01  -0.02   0.00     0.00   0.00   0.00
    12   1    -0.03   0.29   0.20    -0.32  -0.17  -0.00    -0.03  -0.00   0.01
    13   1    -0.21  -0.02   0.01     0.12  -0.02   0.18    -0.00  -0.00   0.01
    14   1    -0.11   0.15  -0.33     0.05   0.05  -0.01     0.00   0.01  -0.00
    15   1    -0.07  -0.07   0.23     0.21   0.08  -0.08     0.04  -0.00   0.00
    16   8    -0.08   0.05  -0.02    -0.12   0.01   0.01    -0.02   0.00  -0.03
    17   6     0.00   0.04  -0.03     0.05  -0.02  -0.03     0.00  -0.00  -0.00
    18   6    -0.02  -0.01   0.02    -0.01   0.01  -0.04    -0.00   0.00  -0.00
    19   6    -0.05  -0.03  -0.04     0.01   0.00   0.03    -0.00  -0.00   0.00
    20   1     0.00  -0.01  -0.12    -0.04  -0.02   0.21    -0.00  -0.00   0.02
    21   1     0.02  -0.02  -0.10    -0.06   0.08  -0.15    -0.00   0.01  -0.01
    22   1     0.02  -0.03   0.07    -0.09   0.04  -0.11    -0.01   0.01  -0.02
    23   1    -0.00   0.01  -0.02     0.01  -0.02   0.08     0.00  -0.00   0.01
    24   1     0.01   0.00  -0.01    -0.14  -0.05   0.07    -0.01  -0.01   0.01
    25   1    -0.08  -0.03   0.00     0.17   0.03   0.01     0.01   0.00   0.00
    26   1     0.08  -0.22  -0.02    -0.03   0.06  -0.03     0.00  -0.01  -0.00
    27   1     0.10  -0.09  -0.00    -0.04   0.10   0.01     0.00   0.01   0.00
    28   1     0.03   0.20   0.08    -0.00  -0.10  -0.06     0.00   0.00  -0.00
    29   6     0.03  -0.01  -0.01    -0.00   0.01  -0.03     0.01   0.02   0.20
    30   6     0.05   0.07   0.00     0.06   0.03   0.02     0.00  -0.01  -0.17
    31   8    -0.01  -0.05   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.04
    32   1    -0.20  -0.00  -0.05    -0.06  -0.06  -0.04    -0.42   0.45   0.13
    33   1     0.24  -0.25  -0.01     0.17  -0.18  -0.03     0.03   0.01   0.36
    34   1    -0.25   0.07   0.03    -0.16   0.06   0.01     0.41  -0.43   0.18
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1071.2153              1107.5730              1138.9593
 Red. masses --      1.9177                 1.2571                 1.6063
 Frc consts  --      1.2965                 0.9086                 1.2277
 IR Inten    --     64.0902                 4.5976                19.2466
 RamAct Fr= 1--      5.1010                 5.7027                 2.8588
  Dep-P Fr= 1--      0.6986                 0.7498                 0.7084
  Dep-U Fr= 1--      0.8226                 0.8570                 0.8293
 Alpha2 Fr= 1--      0.0046                 0.0000                 0.0021
 Beta2  Fr= 1--      0.6993                 0.8145                 0.3952
 AlphaG Fr= 1--      0.0106                -0.0004                -0.0069
 Gamma2 Fr= 1--      1.1002                -1.5081                 0.1033
 Delta2 Fr= 1--      0.0061                -0.6446                 0.6031
 Raman1 Fr= 1--      20.404                 22.811                 11.435
 ROA1   Fr= 1--     105.812               -165.399                 29.214
 CID1   Fr= 1--       5.186                 -7.251                  2.555
 Raman2 Fr= 1--       8.392                  9.774                  4.742
 ROA2   Fr= 1--      26.355                -31.037                 -2.347
 CID2   Fr= 1--       3.141                 -3.175                 -0.495
 Raman3 Fr= 1--      16.784                 19.549                  9.484
 ROA3   Fr= 1--     105.812               -165.399                 29.214
 CID3   Fr= 1--       6.305                 -8.461                  3.080
 RC180  Fr= 1--       0.645                  0.714                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02   0.04    -0.03  -0.01   0.02     0.01  -0.05  -0.01
     2   6    -0.04  -0.04  -0.03    -0.01   0.00  -0.00     0.01  -0.05  -0.03
     3   6    -0.02   0.08  -0.02     0.00   0.01   0.03     0.00   0.03   0.04
     4   6     0.02  -0.08  -0.02     0.01   0.01  -0.00     0.00  -0.02  -0.04
     5   6    -0.10   0.12   0.02     0.05  -0.01   0.00    -0.07  -0.00   0.08
     6   6    -0.04   0.00   0.05    -0.06  -0.00  -0.06    -0.02   0.11   0.00
     7   1     0.06  -0.16   0.23     0.08  -0.29   0.09    -0.08   0.26  -0.18
     8   1    -0.02  -0.15   0.02    -0.07   0.33  -0.12    -0.05   0.13  -0.12
     9   1     0.02   0.08   0.08     0.06   0.12   0.31     0.03  -0.01   0.08
    10   1    -0.04  -0.18  -0.25    -0.07  -0.07  -0.22     0.05   0.08   0.25
    11   6     0.01  -0.00   0.02    -0.00   0.04  -0.03    -0.01   0.08  -0.03
    12   1    -0.10   0.37   0.23     0.36   0.09  -0.21    -0.06  -0.37  -0.17
    13   1    -0.21  -0.05   0.13    -0.22   0.01  -0.24     0.25  -0.00   0.31
    14   1     0.26   0.19   0.04    -0.09  -0.02  -0.07    -0.16   0.07  -0.22
    15   1     0.06   0.17  -0.10    -0.07  -0.13   0.20     0.04   0.11  -0.11
    16   8     0.10  -0.06  -0.01    -0.02   0.00   0.00     0.03   0.01  -0.02
    17   6     0.06  -0.01  -0.03     0.06   0.00   0.03     0.03  -0.07  -0.01
    18   6     0.00  -0.02  -0.00     0.01  -0.05   0.02     0.01  -0.05   0.01
    19   6     0.00   0.00  -0.04     0.02  -0.01   0.01     0.03  -0.03   0.02
    20   1    -0.05  -0.03   0.23    -0.06  -0.07   0.22     0.02   0.06   0.26
    21   1    -0.08   0.09  -0.21    -0.05   0.05  -0.16    -0.07   0.13   0.05
    22   1    -0.11   0.04  -0.12    -0.11  -0.02   0.07    -0.06   0.08  -0.24
    23   1    -0.07  -0.02   0.01    -0.18  -0.02  -0.03    -0.20  -0.04  -0.00
    24   1     0.03   0.03   0.01     0.16   0.11  -0.03     0.13   0.12   0.00
    25   1     0.01   0.02  -0.00    -0.08   0.06  -0.01    -0.03   0.10  -0.01
    26   1     0.02   0.01   0.08    -0.03   0.07  -0.02    -0.04   0.06  -0.05
    27   1     0.04  -0.16  -0.03    -0.05   0.02  -0.01    -0.06   0.03  -0.01
    28   1    -0.02   0.10   0.09    -0.01  -0.13  -0.06     0.01  -0.18  -0.09
    29   6    -0.01  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
    30   6    -0.05  -0.04   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   8     0.00   0.03  -0.00     0.00   0.00  -0.00    -0.00  -0.01  -0.00
    32   1     0.14  -0.01   0.03    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    33   1    -0.18   0.18  -0.01     0.01  -0.01   0.00    -0.00   0.00   0.00
    34   1     0.13  -0.01  -0.03     0.00  -0.00   0.00    -0.01   0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1163.4795              1173.0882              1191.4361
 Red. masses --      2.2287                 2.1033                 1.8827
 Frc consts  --      1.7776                 1.7054                 1.5746
 IR Inten    --     10.3483                 2.2773                11.9063
 RamAct Fr= 1--      1.8446                 2.1680                 2.6637
  Dep-P Fr= 1--      0.5924                 0.7497                 0.4106
  Dep-U Fr= 1--      0.7440                 0.8569                 0.5822
 Alpha2 Fr= 1--      0.0054                 0.0000                 0.0190
 Beta2  Fr= 1--      0.2287                 0.3096                 0.2584
 AlphaG Fr= 1--     -0.0144                -0.0002                -0.0285
 Gamma2 Fr= 1--      1.6515                 0.3579                -1.4121
 Delta2 Fr= 1--      0.7494                 0.1886                -0.2646
 Raman1 Fr= 1--       7.378                  8.672                 10.655
 ROA1   Fr= 1--     182.520                 40.395               -144.031
 CID1   Fr= 1--      24.737                  4.658                -13.518
 Raman2 Fr= 1--       2.745                  3.716                  3.101
 ROA2   Fr= 1--      33.640                  7.081                -31.774
 CID2   Fr= 1--      12.256                  1.906                -10.245
 Raman3 Fr= 1--       5.490                  7.431                  6.203
 ROA3   Fr= 1--     182.520                 40.395               -144.031
 CID3   Fr= 1--      33.248                  5.436                -23.221
 RC180  Fr= 1--       0.488                  0.714                  0.164
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.02     0.09  -0.01  -0.01     0.01  -0.03  -0.04
     2   6     0.04  -0.04  -0.02    -0.08  -0.02   0.00    -0.07   0.04   0.04
     3   6     0.07  -0.01  -0.07    -0.04   0.02   0.04    -0.03   0.01   0.04
     4   6    -0.08   0.07   0.02    -0.01  -0.05   0.01     0.02   0.02  -0.02
     5   6     0.01  -0.10  -0.05    -0.02   0.02  -0.04    -0.07   0.05   0.01
     6   6    -0.01   0.08   0.12     0.11   0.02  -0.14     0.13  -0.09   0.14
     7   1     0.05  -0.20  -0.08    -0.02   0.12   0.15     0.05  -0.26   0.16
     8   1     0.01   0.29  -0.00    -0.11   0.03  -0.20    -0.12   0.21  -0.24
     9   1     0.03  -0.07   0.17     0.05   0.22   0.03    -0.02   0.14  -0.07
    10   1    -0.09  -0.03  -0.23     0.13  -0.09   0.23     0.03  -0.20  -0.20
    11   6     0.12   0.10   0.09     0.09   0.14  -0.02     0.02   0.04   0.01
    12   1    -0.08  -0.03   0.03    -0.15  -0.01   0.11     0.35  -0.16  -0.38
    13   1     0.06   0.04  -0.18    -0.26  -0.05  -0.08     0.18   0.03   0.13
    14   1     0.24  -0.15   0.42     0.36   0.05   0.29    -0.15   0.03  -0.18
    15   1     0.18  -0.01  -0.22    -0.20  -0.12   0.19    -0.05   0.13  -0.11
    16   8    -0.01   0.04   0.01    -0.00  -0.02   0.01     0.02  -0.03  -0.01
    17   6    -0.00  -0.04  -0.06    -0.06  -0.02   0.06    -0.06   0.04  -0.05
    18   6    -0.05  -0.03  -0.04    -0.04  -0.04   0.01    -0.01  -0.02  -0.02
    19   6    -0.04  -0.04  -0.04    -0.04  -0.06   0.02    -0.00  -0.02  -0.01
    20   1     0.04   0.08   0.04     0.05   0.07  -0.08     0.05   0.04  -0.34
    21   1    -0.04   0.08   0.04     0.07  -0.07   0.31     0.07  -0.11   0.02
    22   1    -0.00   0.09  -0.27     0.12  -0.03   0.08     0.14   0.00  -0.01
    23   1    -0.14  -0.07   0.13    -0.13  -0.03   0.00    -0.08  -0.03   0.04
    24   1    -0.16  -0.02   0.12    -0.01   0.02   0.01    -0.03   0.01   0.03
    25   1     0.11   0.05   0.01    -0.08   0.01  -0.00     0.03   0.04  -0.00
    26   1     0.07  -0.20   0.01     0.04  -0.22  -0.14     0.00  -0.02  -0.00
    27   1     0.11  -0.10  -0.00     0.06   0.11   0.03     0.01  -0.02  -0.01
    28   1     0.01   0.12   0.05     0.08   0.02  -0.09     0.02   0.02  -0.00
    29   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.04  -0.00   0.00
    30   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    31   8    -0.01  -0.01   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
    32   1    -0.01   0.00  -0.00     0.01  -0.00   0.00    -0.01  -0.01  -0.01
    33   1     0.00   0.00  -0.00    -0.01   0.01  -0.00     0.03  -0.04   0.01
    34   1    -0.01   0.01  -0.00     0.01  -0.00  -0.00    -0.00  -0.01   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1225.4023              1235.4490              1254.9673
 Red. masses --      1.9666                 1.6986                 1.8172
 Frc consts  --      1.7399                 1.5276                 1.6862
 IR Inten    --      2.6165                 0.6364                 5.7603
 RamAct Fr= 1--      6.3123                 1.9529                 6.1232
  Dep-P Fr= 1--      0.7497                 0.7368                 0.6403
  Dep-U Fr= 1--      0.8569                 0.8484                 0.7807
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0121
 Beta2  Fr= 1--      0.9015                 0.2762                 0.7968
 AlphaG Fr= 1--     -0.0004                 0.0004                 0.0174
 Gamma2 Fr= 1--      0.4007                -0.4466                 3.0287
 Delta2 Fr= 1--      0.1753                 0.1087                 1.0725
 Raman1 Fr= 1--      25.249                  7.812                 24.493
 ROA1   Fr= 1--      44.076                -39.394                325.072
 CID1   Fr= 1--       1.746                 -5.043                 13.272
 Raman2 Fr= 1--      10.818                  3.314                  9.561
 ROA2   Fr= 1--       8.215                -11.588                 64.109
 CID2   Fr= 1--       0.759                 -3.497                  6.705
 Raman3 Fr= 1--      21.637                  6.628                 19.122
 ROA3   Fr= 1--      44.076                -39.394                325.072
 CID3   Fr= 1--       2.037                 -5.944                 17.000
 RC180  Fr= 1--       0.714                  0.697                  0.561
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.01    -0.07  -0.01   0.03    -0.04   0.01  -0.04
     2   6     0.01  -0.02  -0.04     0.01   0.02  -0.02     0.08   0.04   0.03
     3   6    -0.04   0.05  -0.03     0.06   0.00  -0.03    -0.03  -0.01   0.03
     4   6    -0.00  -0.04  -0.01    -0.03  -0.02   0.03     0.02  -0.01   0.02
     5   6     0.02   0.04   0.00    -0.01   0.07   0.02     0.03   0.04  -0.03
     6   6    -0.01  -0.01  -0.09    -0.01  -0.06  -0.06    -0.02  -0.11   0.02
     7   1    -0.02   0.09  -0.08    -0.02   0.03  -0.17    -0.10   0.25  -0.23
     8   1     0.02  -0.04   0.04     0.05   0.14   0.09     0.19  -0.51   0.33
     9   1     0.07   0.08   0.27     0.10   0.16   0.47     0.01  -0.12   0.11
    10   1     0.04   0.12   0.23    -0.08   0.00  -0.22    -0.12  -0.01  -0.37
    11   6     0.01  -0.04   0.22     0.14  -0.03  -0.06    -0.03   0.18   0.02
    12   1     0.17  -0.20  -0.37    -0.21  -0.17   0.09    -0.12  -0.14   0.01
    13   1     0.05  -0.02   0.11     0.24  -0.02   0.25    -0.06  -0.01  -0.02
    14   1    -0.02   0.05  -0.08    -0.27  -0.01  -0.19     0.03   0.03   0.01
    15   1    -0.12  -0.09   0.22    -0.06   0.11  -0.02     0.02   0.00   0.03
    16   8    -0.01  -0.01  -0.00     0.01  -0.03  -0.00     0.00  -0.01   0.00
    17   6    -0.01   0.02   0.03     0.01   0.03   0.02     0.00   0.03  -0.01
    18   6    -0.00   0.00  -0.09    -0.05   0.03   0.03     0.02  -0.07  -0.01
    19   6     0.00   0.02  -0.09    -0.07  -0.00   0.02     0.02  -0.04  -0.01
    20   1    -0.02  -0.02   0.00    -0.03  -0.05  -0.00    -0.03  -0.05  -0.07
    21   1     0.02  -0.03   0.04     0.02  -0.04  -0.05     0.03  -0.06  -0.09
    22   1     0.00  -0.04   0.13    -0.01  -0.04   0.12     0.01  -0.03   0.09
    23   1    -0.01  -0.07   0.20     0.10   0.03  -0.03    -0.24  -0.05   0.01
    24   1    -0.17   0.01   0.15    -0.10  -0.13  -0.05     0.10   0.13   0.06
    25   1     0.31   0.08   0.00    -0.13  -0.16   0.02    -0.03   0.15  -0.03
    26   1     0.05   0.01   0.22     0.04  -0.19  -0.07    -0.01  -0.02  -0.06
    27   1     0.07  -0.32  -0.06     0.13   0.14   0.06    -0.05  -0.07  -0.02
    28   1    -0.10   0.12   0.18     0.10   0.21  -0.02    -0.01  -0.13  -0.06
    29   6     0.02   0.00   0.00    -0.01   0.00   0.00    -0.03   0.00   0.00
    30   6    -0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    31   8    -0.00   0.00  -0.00     0.00   0.01  -0.00     0.01   0.00  -0.00
    32   1     0.01   0.01   0.01     0.01   0.00   0.00     0.00  -0.01  -0.01
    33   1    -0.02   0.02  -0.00    -0.00   0.00   0.00     0.03  -0.03   0.00
    34   1     0.01   0.01  -0.01     0.01  -0.00  -0.00     0.00  -0.02   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1261.9467              1270.7586              1284.0382
 Red. masses --      1.6457                 3.7774                 1.6468
 Frc consts  --      1.5441                 3.5939                 1.5997
 IR Inten    --      2.8567               433.3801                 0.4647
 RamAct Fr= 1--      2.1101                 2.0065                 5.4381
  Dep-P Fr= 1--      0.6821                 0.3806                 0.7448
  Dep-U Fr= 1--      0.8110                 0.5514                 0.8537
 Alpha2 Fr= 1--      0.0025                 0.0159                 0.0005
 Beta2  Fr= 1--      0.2852                 0.1844                 0.7738
 AlphaG Fr= 1--      0.0048                -0.0273                -0.0012
 Gamma2 Fr= 1--     -0.8905                -0.4620                -2.9252
 Delta2 Fr= 1--     -0.7568                -0.2998                -1.0367
 Raman1 Fr= 1--       8.441                  8.026                 21.752
 ROA1   Fr= 1--    -109.703                -53.948               -313.994
 CID1   Fr= 1--     -12.997                 -6.722                -14.435
 Raman2 Fr= 1--       3.423                  2.213                  9.285
 ROA2   Fr= 1--     -15.317                 -8.690                -61.911
 CID2   Fr= 1--      -4.475                 -3.927                 -6.668
 Raman3 Fr= 1--       6.845                  4.425                 18.570
 ROA3   Fr= 1--    -109.703                -53.948               -313.994
 CID3   Fr= 1--     -16.026                -12.190                -16.908
 RC180  Fr= 1--       0.622                  0.103                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.01    -0.00  -0.03  -0.01    -0.03  -0.04   0.04
     2   6     0.02  -0.04   0.04     0.01   0.02   0.02     0.00  -0.01  -0.03
     3   6    -0.04  -0.11  -0.04     0.00   0.03   0.02    -0.02   0.03   0.03
     4   6     0.05   0.01   0.04     0.01  -0.01   0.00    -0.01  -0.00  -0.05
     5   6    -0.03   0.03  -0.03     0.01   0.01  -0.00    -0.01  -0.03  -0.01
     6   6     0.02   0.13  -0.01     0.02  -0.01   0.05     0.13   0.09   0.02
     7   1     0.04  -0.07   0.08    -0.03   0.05  -0.06    -0.10   0.29  -0.26
     8   1     0.05  -0.21   0.12    -0.00  -0.00  -0.02     0.06  -0.07   0.13
     9   1    -0.02  -0.09  -0.16    -0.03  -0.05  -0.10     0.11   0.16   0.48
    10   1    -0.07  -0.12  -0.23    -0.04  -0.03  -0.13    -0.10  -0.16  -0.45
    11   6     0.06   0.03   0.03    -0.01   0.01  -0.02    -0.08  -0.09  -0.03
    12   1     0.13   0.28   0.08    -0.05  -0.13  -0.06     0.11   0.08  -0.04
    13   1     0.08   0.01   0.04    -0.02  -0.00   0.05    -0.01   0.00   0.04
    14   1    -0.42  -0.03  -0.35     0.01   0.01  -0.01     0.23   0.02   0.15
    15   1    -0.34  -0.17   0.33    -0.35   0.12  -0.03    -0.10  -0.11   0.13
    16   8     0.01  -0.01  -0.01    -0.17  -0.07   0.00     0.00   0.00   0.00
    17   6    -0.01  -0.06  -0.00    -0.00  -0.00  -0.01    -0.04  -0.03  -0.01
    18   6    -0.02  -0.00  -0.02     0.01  -0.01   0.01     0.01   0.03   0.00
    19   6    -0.02  -0.01   0.01     0.01  -0.01   0.00     0.03   0.02   0.01
    20   1     0.06   0.10   0.08     0.01   0.01  -0.05     0.07   0.12  -0.04
    21   1    -0.04   0.08   0.15    -0.01   0.00  -0.03     0.02  -0.02   0.15
    22   1     0.02   0.04  -0.15     0.01   0.02  -0.04     0.12   0.02  -0.09
    23   1    -0.02  -0.02   0.06    -0.02   0.00  -0.02     0.11   0.03  -0.04
    24   1    -0.08  -0.02   0.04     0.03   0.02  -0.01     0.03  -0.01  -0.05
    25   1     0.05  -0.00  -0.00    -0.04   0.01  -0.00     0.03  -0.02   0.01
    26   1     0.02  -0.07  -0.03    -0.01   0.02  -0.02    -0.04   0.13   0.02
    27   1     0.04   0.02   0.02    -0.01   0.01  -0.00    -0.07   0.04  -0.01
    28   1     0.03   0.03  -0.02     0.02  -0.00  -0.01    -0.02  -0.04   0.02
    29   6     0.00   0.00   0.00     0.43   0.01  -0.02    -0.01   0.00  -0.00
    30   6    -0.00  -0.00   0.00    -0.10  -0.04   0.01     0.00   0.00  -0.00
    31   8    -0.00  -0.00  -0.00    -0.05   0.02  -0.00     0.00  -0.00   0.00
    32   1     0.00   0.00   0.00     0.02   0.22   0.16     0.00  -0.01  -0.01
    33   1    -0.01   0.01   0.00    -0.41   0.47  -0.04     0.01  -0.02   0.00
    34   1     0.00   0.00  -0.00     0.01   0.21  -0.20    -0.00  -0.01   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1308.0892              1313.3202              1336.6931
 Red. masses --      1.9067                 1.6191                 1.4825
 Frc consts  --      1.9223                 1.6454                 1.5606
 IR Inten    --      0.3603                 6.7086                 5.0582
 RamAct Fr= 1--      2.9570                 2.4332                 5.2146
  Dep-P Fr= 1--      0.6197                 0.5641                 0.7496
  Dep-U Fr= 1--      0.7652                 0.7213                 0.8569
 Alpha2 Fr= 1--      0.0070                 0.0086                 0.0000
 Beta2  Fr= 1--      0.3771                 0.2925                 0.7447
 AlphaG Fr= 1--     -0.0163                -0.0306                -0.0016
 Gamma2 Fr= 1--      0.5994                -0.7439                -0.5662
 Delta2 Fr= 1--      0.9322                -0.3792                -0.7735
 Raman1 Fr= 1--      11.828                  9.733                 20.859
 ROA1   Fr= 1--      87.376                -83.549                -79.109
 CID1   Fr= 1--       7.387                 -8.584                 -3.793
 Raman2 Fr= 1--       4.525                  3.510                  8.937
 ROA2   Fr= 1--       6.928                -14.819                 -7.402
 CID2   Fr= 1--       1.531                 -4.222                 -0.828
 Raman3 Fr= 1--       9.051                  7.021                 17.873
 ROA3   Fr= 1--      87.376                -83.549                -79.109
 CID3   Fr= 1--       9.654                -11.901                 -4.426
 RC180  Fr= 1--       0.530                  0.443                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.00    -0.03   0.11  -0.03     0.03  -0.01   0.04
     2   6    -0.01   0.01   0.06    -0.03  -0.06  -0.07     0.00   0.01  -0.02
     3   6     0.14  -0.04  -0.04     0.02  -0.07   0.00    -0.09  -0.12   0.01
     4   6    -0.11  -0.02  -0.05     0.03   0.04   0.01    -0.04   0.03  -0.07
     5   6     0.04   0.04   0.01    -0.05  -0.05   0.07     0.00   0.00   0.03
     6   6     0.04  -0.00  -0.10     0.07  -0.00  -0.05    -0.03  -0.05  -0.01
     7   1     0.09  -0.30   0.12     0.11  -0.34   0.22    -0.08   0.32  -0.08
     8   1    -0.03   0.23  -0.08     0.09  -0.29   0.21    -0.00   0.06  -0.01
     9   1    -0.04  -0.02  -0.17     0.13   0.23   0.44     0.02   0.04   0.04
    10   1    -0.04  -0.14  -0.23     0.05   0.04   0.22    -0.00   0.09   0.10
    11   6    -0.13   0.04   0.05    -0.05   0.03   0.01     0.04   0.04  -0.01
    12   1    -0.20   0.05   0.30     0.01   0.06   0.10     0.45   0.56   0.03
    13   1     0.48  -0.01   0.40    -0.02   0.04  -0.08     0.38   0.04   0.22
    14   1     0.07   0.00   0.09    -0.11  -0.06  -0.05     0.17   0.03   0.11
    15   1    -0.05  -0.02   0.13     0.14   0.26  -0.40     0.19   0.04  -0.07
    16   8    -0.00  -0.01   0.00    -0.01   0.00  -0.00    -0.02   0.00   0.00
    17   6    -0.02   0.00   0.02    -0.02   0.01   0.01     0.01   0.02   0.00
    18   6     0.03  -0.02  -0.01     0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    19   6     0.04  -0.01  -0.01     0.02  -0.01   0.01    -0.01   0.00   0.01
    20   1    -0.02   0.00   0.04     0.00   0.03  -0.00    -0.03  -0.05   0.00
    21   1     0.04  -0.04   0.11     0.04  -0.05   0.06     0.01  -0.02  -0.06
    22   1     0.04  -0.04   0.09     0.08  -0.03   0.06    -0.03  -0.01   0.05
    23   1    -0.05  -0.01   0.00    -0.04  -0.01   0.00    -0.05  -0.01   0.02
    24   1     0.07   0.09   0.04     0.02   0.03   0.02    -0.02  -0.02   0.01
    25   1     0.02   0.10  -0.02     0.01   0.04  -0.01    -0.02  -0.01  -0.01
    26   1    -0.03   0.11   0.03    -0.02   0.04  -0.02     0.02  -0.07  -0.04
    27   1    -0.09  -0.06  -0.04    -0.05   0.01  -0.01     0.02  -0.01   0.02
    28   1    -0.05  -0.09   0.04    -0.01  -0.05  -0.01     0.01  -0.01  -0.04
    29   6     0.00  -0.00   0.00     0.04  -0.00  -0.00     0.03  -0.00  -0.00
    30   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8     0.00   0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    32   1     0.00  -0.00  -0.00    -0.01   0.03   0.02    -0.01   0.03   0.02
    33   1    -0.00   0.00  -0.00    -0.03   0.04  -0.00    -0.03   0.03  -0.00
    34   1     0.00  -0.00   0.00    -0.01   0.03  -0.02    -0.01   0.02  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1342.0915              1363.1775              1397.1383
 Red. masses --      1.6697                 1.8310                 1.2701
 Frc consts  --      1.7719                 2.0047                 1.4607
 IR Inten    --      2.9502                 0.4529                48.8070
 RamAct Fr= 1--      3.8288                 1.3148                 1.8618
  Dep-P Fr= 1--      0.4382                 0.7181                 0.5272
  Dep-U Fr= 1--      0.6094                 0.8359                 0.6904
 Alpha2 Fr= 1--      0.0246                 0.0007                 0.0080
 Beta2  Fr= 1--      0.3889                 0.1832                 0.2142
 AlphaG Fr= 1--     -0.0075                 0.0132                -0.0337
 Gamma2 Fr= 1--      0.9753                 0.4888                 0.0041
 Delta2 Fr= 1--      0.6306                 0.5522                -0.0587
 Raman1 Fr= 1--      15.315                  5.259                  7.447
 ROA1   Fr= 1--     113.810                 64.592                 -1.481
 CID1   Fr= 1--       7.431                 12.282                 -0.199
 Raman2 Fr= 1--       4.667                  2.198                  2.571
 ROA2   Fr= 1--      18.362                  7.313                  0.569
 CID2   Fr= 1--       3.935                  3.327                  0.221
 Raman3 Fr= 1--       9.333                  4.396                  5.141
 ROA3   Fr= 1--     113.810                 64.592                 -1.481
 CID3   Fr= 1--      12.194                 14.692                 -0.288
 RC180  Fr= 1--       0.219                  0.672                  0.381
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.07  -0.08    -0.01   0.05  -0.01     0.00   0.00  -0.00
     2   6     0.02  -0.01   0.04    -0.02  -0.04  -0.11     0.00  -0.00  -0.01
     3   6    -0.02   0.03   0.12     0.03  -0.01  -0.01    -0.01  -0.01   0.00
     4   6    -0.06  -0.01  -0.07    -0.04  -0.03  -0.02    -0.01   0.01  -0.01
     5   6     0.00   0.00   0.01     0.05   0.07  -0.10     0.04  -0.01   0.02
     6   6    -0.04   0.05  -0.04    -0.01  -0.03   0.17    -0.01   0.00   0.01
     7   1     0.07  -0.33   0.21     0.06  -0.16   0.10    -0.00   0.00   0.01
     8   1     0.12  -0.39   0.20     0.02  -0.08   0.05     0.00  -0.02   0.01
     9   1    -0.03  -0.08  -0.14     0.06   0.08   0.29    -0.00  -0.02   0.01
    10   1    -0.04  -0.05  -0.11     0.11   0.18   0.47     0.01   0.02   0.04
    11   6     0.08  -0.05  -0.04    -0.02   0.02  -0.05     0.00   0.00  -0.00
    12   1     0.24  -0.30  -0.30    -0.06  -0.00   0.07     0.04   0.02  -0.01
    13   1     0.17   0.01   0.23     0.18  -0.03   0.17     0.03   0.01   0.01
    14   1     0.29   0.01   0.23     0.05   0.03   0.02     0.05  -0.00   0.06
    15   1     0.11  -0.07   0.07    -0.09  -0.36   0.52    -0.35   0.18  -0.11
    16   8    -0.00   0.01   0.00    -0.01  -0.00   0.01    -0.01  -0.02  -0.01
    17   6     0.02  -0.02   0.01    -0.00   0.01  -0.04     0.01   0.00  -0.00
    18   6    -0.03   0.01   0.02     0.02  -0.01   0.02    -0.01  -0.01   0.00
    19   6    -0.03   0.02   0.01     0.01  -0.01   0.02     0.00  -0.02  -0.00
    20   1     0.00  -0.00   0.08     0.01   0.00  -0.09    -0.00  -0.01   0.00
    21   1    -0.03   0.07   0.01    -0.02   0.01  -0.07    -0.01   0.01  -0.00
    22   1    -0.06   0.00  -0.02    -0.02   0.02  -0.06    -0.02  -0.00   0.00
    23   1     0.07   0.02  -0.02    -0.04   0.02  -0.06     0.05  -0.00  -0.01
    24   1     0.01  -0.04  -0.07     0.02  -0.01  -0.00     0.04   0.04  -0.02
    25   1     0.02  -0.08   0.03    -0.08   0.03  -0.01     0.05   0.02   0.02
    26   1     0.03  -0.07  -0.02    -0.02   0.03  -0.05    -0.05   0.07   0.01
    27   1     0.08   0.00   0.03    -0.06   0.05  -0.00    -0.01   0.08  -0.01
    28   1     0.03   0.02  -0.06     0.01  -0.03  -0.01     0.04   0.09   0.04
    29   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.04   0.01  -0.00
    30   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.11   0.09  -0.00
    31   8    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
    32   1    -0.01   0.00   0.00     0.01  -0.01  -0.00     0.40  -0.28  -0.20
    33   1    -0.01   0.01  -0.00     0.00  -0.01   0.01     0.19  -0.40   0.02
    34   1    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.42  -0.25   0.22
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1406.4222              1413.0039              1419.5499
 Red. masses --      1.2651                 1.2839                 1.2851
 Frc consts  --      1.4744                 1.5103                 1.5257
 IR Inten    --     10.2186                 6.0446                19.5896
 RamAct Fr= 1--      0.5779                 0.2668                 3.2229
  Dep-P Fr= 1--      0.5166                 0.3824                 0.7045
  Dep-U Fr= 1--      0.6813                 0.5532                 0.8266
 Alpha2 Fr= 1--      0.0026                 0.0021                 0.0026
 Beta2  Fr= 1--      0.0656                 0.0246                 0.4440
 AlphaG Fr= 1--      0.0066                 0.0010                 0.0257
 Gamma2 Fr= 1--     -0.1392                 0.0134                -1.4448
 Delta2 Fr= 1--     -0.1332                 0.0345                -0.9623
 Raman1 Fr= 1--       2.312                  1.067                 12.892
 ROA1   Fr= 1--     -17.625                  2.388               -169.493
 CID1   Fr= 1--      -7.625                  2.238                -13.147
 Raman2 Fr= 1--       0.787                  0.295                  5.328
 ROA2   Fr= 1--      -2.275                  0.045                -26.977
 CID2   Fr= 1--      -2.889                  0.152                 -5.063
 Raman3 Fr= 1--       1.575                  0.590                 10.657
 ROA3   Fr= 1--     -17.625                  2.388               -169.493
 CID3   Fr= 1--     -11.192                  4.045                -15.905
 RC180  Fr= 1--       0.363                  0.106                  0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.00   0.01
     2   6     0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00   0.00   0.01
     3   6    -0.01  -0.01   0.00    -0.00   0.00  -0.00     0.01  -0.00  -0.01
     4   6    -0.01   0.01  -0.00     0.00   0.00   0.00     0.03  -0.01   0.01
     5   6     0.03  -0.00   0.01     0.01  -0.00  -0.00    -0.09   0.01  -0.03
     6   6    -0.02  -0.01   0.01    -0.00  -0.00   0.04     0.02  -0.01  -0.02
     7   1     0.01   0.00  -0.01    -0.01   0.01  -0.01     0.01  -0.00  -0.03
     8   1    -0.02  -0.03  -0.01    -0.00   0.01  -0.01    -0.03   0.02  -0.03
     9   1    -0.02  -0.05   0.02    -0.00  -0.00  -0.01     0.00   0.02  -0.01
    10   1     0.03   0.00   0.04    -0.00   0.02   0.01    -0.02  -0.02  -0.06
    11   6     0.02   0.02  -0.00     0.00  -0.01  -0.01     0.01   0.01   0.00
    12   1     0.03   0.03  -0.00     0.00  -0.00  -0.01    -0.04  -0.00   0.03
    13   1     0.02   0.01   0.01    -0.00   0.00  -0.03    -0.06  -0.01   0.04
    14   1     0.03  -0.02   0.04     0.01   0.02   0.00    -0.12  -0.04  -0.10
    15   1    -0.21   0.10  -0.05    -0.11   0.04  -0.02     0.68  -0.31   0.18
    16   8     0.01  -0.01  -0.00     0.00  -0.01  -0.00    -0.02   0.03   0.02
    17   6     0.01   0.01  -0.01    -0.00   0.02  -0.14    -0.01   0.01  -0.00
    18   6    -0.09  -0.04   0.01    -0.01  -0.00   0.00    -0.07  -0.03   0.01
    19   6     0.01  -0.08  -0.03    -0.01   0.03   0.02    -0.00   0.01  -0.00
    20   1    -0.04  -0.04   0.03    -0.20   0.03   0.52    -0.02  -0.01   0.03
    21   1     0.03  -0.00   0.03     0.22  -0.00   0.48     0.04  -0.05   0.03
    22   1    -0.03  -0.01   0.02     0.03  -0.30   0.43     0.04  -0.01   0.02
    23   1     0.34  -0.01  -0.09     0.04  -0.00  -0.01     0.25  -0.01  -0.08
    24   1     0.27   0.23  -0.17     0.05   0.02  -0.05     0.20   0.16  -0.15
    25   1     0.35   0.14   0.11     0.06  -0.01   0.02     0.27   0.10   0.09
    26   1    -0.17   0.26   0.13     0.06  -0.10  -0.06     0.04  -0.04   0.05
    27   1    -0.03   0.36  -0.03     0.05  -0.17   0.02     0.02   0.02   0.00
    28   1     0.07   0.29   0.22     0.01  -0.11  -0.14    -0.06  -0.06   0.01
    29   6    -0.03   0.00   0.00    -0.01   0.00   0.00     0.06  -0.01  -0.00
    30   6     0.04  -0.03   0.00     0.00  -0.00   0.00    -0.05   0.03  -0.00
    31   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00   0.00
    32   1    -0.14   0.09   0.06    -0.01   0.00   0.00     0.14  -0.07  -0.06
    33   1    -0.06   0.13  -0.01    -0.00   0.01  -0.00     0.05  -0.12   0.01
    34   1    -0.14   0.08  -0.07    -0.01   0.00  -0.00     0.14  -0.06   0.06
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1430.7571              1471.5742              1478.0995
 Red. masses --      1.2070                 1.0519                 1.0460
 Frc consts  --      1.4557                 1.3421                 1.3464
 IR Inten    --      6.2919                12.2609                 9.0625
 RamAct Fr= 1--      1.4536                 5.7320                 4.7781
  Dep-P Fr= 1--      0.2396                 0.6182                 0.7500
  Dep-U Fr= 1--      0.3866                 0.7641                 0.8571
 Alpha2 Fr= 1--      0.0177                 0.0138                 0.0000
 Beta2  Fr= 1--      0.0937                 0.7300                 0.6826
 AlphaG Fr= 1--      0.0265                 0.0021                -0.0000
 Gamma2 Fr= 1--      0.1979                -0.0025                -0.0169
 Delta2 Fr= 1--     -0.1461                -0.1269                 0.1085
 Raman1 Fr= 1--       5.814                 22.928                 19.113
 ROA1   Fr= 1--      14.323                 -4.303                  1.852
 CID1   Fr= 1--       2.463                 -0.188                  0.097
 Raman2 Fr= 1--       1.124                  8.760                  8.191
 ROA2   Fr= 1--       5.918                  0.955                 -1.273
 CID2   Fr= 1--       5.265                  0.109                 -0.155
 Raman3 Fr= 1--       2.248                 17.519                 16.382
 ROA3   Fr= 1--      14.323                 -4.303                  1.852
 CID3   Fr= 1--       6.372                 -0.246                  0.113
 RC180  Fr= 1--      -0.227                  0.528                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.01   0.01   0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6     0.01   0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.03  -0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   1    -0.01   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.02  -0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1     0.02   0.03  -0.06     0.00   0.00  -0.00    -0.00  -0.01   0.00
    10   1    -0.05   0.02  -0.04    -0.00   0.00  -0.00     0.01  -0.01  -0.00
    11   6     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   1     0.02  -0.02  -0.03    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.06   0.01   0.06     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    14   1    -0.02  -0.07   0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    15   1     0.26  -0.12   0.06    -0.01   0.00   0.00     0.00   0.00  -0.00
    16   8    -0.01   0.01   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    17   6     0.00   0.01  -0.04     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   6     0.07   0.02  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   6     0.01  -0.09  -0.04     0.00   0.00   0.00     0.00  -0.00   0.00
    20   1    -0.06  -0.01   0.15    -0.00  -0.01  -0.00     0.01   0.01  -0.00
    21   1     0.06   0.02   0.18     0.00   0.00   0.01    -0.01   0.01   0.00
    22   1    -0.03  -0.10   0.14    -0.01   0.00  -0.00    -0.01  -0.01   0.01
    23   1    -0.27   0.01   0.07    -0.00  -0.00   0.00     0.00  -0.00   0.01
    24   1    -0.22  -0.18   0.15    -0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.28  -0.10  -0.09    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   1    -0.16   0.26   0.20    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    27   1    -0.05   0.45  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    28   1     0.01   0.27   0.30     0.00   0.00  -0.00     0.00   0.00   0.00
    29   6     0.02  -0.00  -0.00    -0.02   0.01  -0.00     0.00  -0.00  -0.02
    30   6    -0.01   0.01  -0.00    -0.04  -0.03   0.00    -0.00  -0.00  -0.05
    31   8    -0.00  -0.00   0.00     0.00  -0.02   0.00    -0.00  -0.00   0.00
    32   1     0.03  -0.01  -0.01     0.22   0.49   0.32     0.49   0.10   0.04
    33   1     0.01  -0.03  -0.00     0.20  -0.41   0.01     0.03   0.04   0.72
    34   1     0.03  -0.01   0.01     0.22   0.44  -0.41    -0.46  -0.07   0.06
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1484.9441              1488.7361              1496.5086
 Red. masses --      1.0625                 1.0552                 1.0502
 Frc consts  --      1.3804                 1.3780                 1.3858
 IR Inten    --      0.1744                 2.6765                 3.5817
 RamAct Fr= 1--     11.1344                 1.7591                 6.0642
  Dep-P Fr= 1--      0.7489                 0.7500                 0.7498
  Dep-U Fr= 1--      0.8564                 0.8571                 0.8570
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0000
 Beta2  Fr= 1--      1.5893                 0.2513                 0.8662
 AlphaG Fr= 1--      0.0028                -0.0000                 0.0007
 Gamma2 Fr= 1--      0.5360                -0.6671                 0.4203
 Delta2 Fr= 1--      0.4647                -0.1908                -0.0509
 Raman1 Fr= 1--      44.538                  7.037                 24.257
 ROA1   Fr= 1--      66.324                -70.150                 38.725
 CID1   Fr= 1--       1.489                 -9.969                  1.596
 Raman2 Fr= 1--      19.072                  3.016                 10.394
 ROA2   Fr= 1--       9.146                -14.485                 10.495
 CID2   Fr= 1--       0.480                 -4.803                  1.010
 Raman3 Fr= 1--      38.144                  6.031                 20.788
 ROA3   Fr= 1--      66.324                -70.150                 38.725
 CID3   Fr= 1--       1.739                -11.631                  1.863
 RC180  Fr= 1--       0.713                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03    -0.00  -0.01  -0.01     0.00   0.00  -0.00
     2   6     0.00  -0.01   0.00    -0.01   0.03  -0.01     0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.02   0.02  -0.03     0.01   0.00  -0.01    -0.00  -0.00  -0.00
     5   6     0.01   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.01   0.00    -0.00  -0.01  -0.00    -0.03   0.01   0.00
     7   1     0.11  -0.08  -0.22    -0.05   0.04   0.10    -0.00  -0.00   0.02
     8   1    -0.20  -0.13  -0.13     0.08   0.07   0.05     0.01   0.00   0.00
     9   1     0.04   0.08  -0.04    -0.12  -0.22   0.12    -0.01  -0.03  -0.03
    10   1    -0.07   0.07  -0.00     0.20  -0.17   0.03     0.01   0.00   0.02
    11   6    -0.01  -0.00   0.00    -0.00  -0.01  -0.01     0.00  -0.00   0.00
    12   1     0.01   0.02   0.00     0.00   0.01   0.01     0.01  -0.00  -0.01
    13   1    -0.18   0.04   0.25    -0.04   0.01   0.05     0.00  -0.00   0.01
    14   1    -0.06  -0.29   0.10    -0.02  -0.07   0.02     0.00  -0.00   0.00
    15   1    -0.07   0.03  -0.01     0.07  -0.02   0.01     0.00  -0.01   0.02
    16   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    17   6    -0.00  -0.01  -0.00    -0.00  -0.02  -0.01    -0.04   0.02   0.01
    18   6     0.01  -0.02   0.02     0.00  -0.02  -0.03     0.01   0.00  -0.00
    19   6    -0.03   0.00  -0.02    -0.02  -0.01   0.01    -0.01  -0.01   0.01
    20   1     0.06   0.10   0.01     0.13   0.19  -0.01    -0.11   0.06   0.35
    21   1    -0.05   0.05  -0.05    -0.13   0.17  -0.04     0.19  -0.50  -0.30
    22   1     0.05  -0.03   0.04     0.03  -0.09   0.13     0.60   0.10  -0.17
    23   1     0.00   0.09  -0.35     0.31  -0.09   0.20    -0.03  -0.00   0.02
    24   1    -0.13  -0.14   0.06    -0.04   0.35   0.37    -0.01  -0.01   0.00
    25   1    -0.02   0.36  -0.02    -0.29   0.08  -0.10    -0.01  -0.03  -0.01
    26   1     0.03   0.00   0.33    -0.12   0.17  -0.01    -0.10   0.13  -0.04
    27   1     0.37   0.07   0.08     0.20  -0.09   0.06     0.08  -0.05   0.02
    28   1    -0.01  -0.15  -0.17     0.20   0.09  -0.21     0.14   0.10  -0.10
    29   6    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    32   1     0.00   0.01   0.00    -0.01   0.00  -0.00     0.01   0.01   0.00
    33   1     0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00   0.01
    34   1    -0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1500.4883              1503.0821              1508.2507
 Red. masses --      1.0660                 1.0626                 1.0553
 Frc consts  --      1.4141                 1.4144                 1.4144
 IR Inten    --     10.6953                 7.6098                 1.1503
 RamAct Fr= 1--      1.6608                 0.8804                 3.1648
  Dep-P Fr= 1--      0.6984                 0.5729                 0.7474
  Dep-U Fr= 1--      0.8224                 0.7285                 0.8554
 Alpha2 Fr= 1--      0.0015                 0.0029                 0.0001
 Beta2  Fr= 1--      0.2276                 0.1069                 0.4512
 AlphaG Fr= 1--     -0.0104                 0.0157                -0.0014
 Gamma2 Fr= 1--     -0.7911                 1.4860                 0.0490
 Delta2 Fr= 1--      0.0388                 0.5928                 0.1723
 Raman1 Fr= 1--       6.643                  3.522                 12.659
 ROA1   Fr= 1--     -74.708                161.620                 10.216
 CID1   Fr= 1--     -11.246                 45.893                  0.807
 Raman2 Fr= 1--       2.732                  1.283                  5.414
 ROA2   Fr= 1--     -19.298                 30.921                 -0.202
 CID2   Fr= 1--      -7.064                 24.105                 -0.037
 Raman3 Fr= 1--       5.463                  2.565                 10.829
 ROA3   Fr= 1--     -74.708                161.620                 10.216
 CID3   Fr= 1--     -13.674                 62.999                  0.943
 RC180  Fr= 1--       0.645                  0.457                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01    -0.01  -0.02  -0.03     0.01   0.01   0.02
     2   6     0.00  -0.00   0.00    -0.01   0.03  -0.02     0.01  -0.01   0.01
     3   6    -0.00  -0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00  -0.00
     4   6    -0.03  -0.03   0.04     0.01   0.01  -0.01     0.01   0.01  -0.02
     5   6    -0.01  -0.00   0.00     0.01   0.00   0.00     0.01   0.01  -0.00
     6   6    -0.01  -0.01  -0.01    -0.01  -0.00   0.00    -0.01  -0.03  -0.00
     7   1    -0.04   0.03   0.08    -0.13   0.11   0.26     0.08  -0.06  -0.17
     8   1     0.06   0.03   0.05     0.23   0.16   0.14    -0.14  -0.09  -0.10
     9   1     0.01   0.02  -0.02    -0.13  -0.25   0.13     0.05   0.10  -0.07
    10   1    -0.02   0.02  -0.01     0.24  -0.20   0.05    -0.09   0.10   0.00
    11   6     0.01  -0.00   0.00    -0.01   0.02  -0.01     0.00   0.01   0.01
    12   1     0.01  -0.02  -0.01    -0.01   0.02   0.01    -0.00   0.00  -0.00
    13   1     0.30  -0.06  -0.38    -0.11   0.02   0.15    -0.13   0.03   0.17
    14   1     0.10   0.44  -0.14    -0.04  -0.18   0.05    -0.04  -0.19   0.06
    15   1     0.04  -0.01  -0.01    -0.06   0.03  -0.01     0.02   0.00  -0.00
    16   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   6    -0.02  -0.03  -0.01    -0.01  -0.01  -0.00    -0.01  -0.03  -0.01
    18   6     0.00  -0.01   0.02    -0.00   0.02   0.01    -0.01   0.02  -0.00
    19   6    -0.00  -0.01  -0.01    -0.00   0.01  -0.03     0.02  -0.01   0.02
    20   1     0.20   0.34   0.07     0.08   0.15   0.05     0.26   0.41   0.04
    21   1    -0.17   0.16  -0.13    -0.06   0.03  -0.09    -0.23   0.23  -0.17
    22   1     0.20  -0.12   0.17     0.14  -0.04   0.05     0.20  -0.15   0.21
    23   1    -0.01   0.08  -0.28    -0.17   0.00   0.06    -0.11  -0.03   0.14
    24   1    -0.08  -0.14  -0.00     0.09  -0.10  -0.22     0.09  -0.03  -0.16
    25   1     0.03   0.24   0.00     0.14  -0.21   0.06     0.12  -0.23   0.05
    26   1     0.01   0.00   0.11     0.15  -0.16   0.31    -0.06   0.04  -0.28
    27   1     0.03   0.08   0.00     0.10   0.19   0.01    -0.23  -0.11  -0.05
    28   1    -0.04  -0.01   0.04    -0.21  -0.22   0.08     0.07   0.14   0.06
    29   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    33   1     0.00  -0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    34   1     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1513.4308              1523.1423              1528.4381
 Red. masses --      1.0710                 1.0621                 1.0850
 Frc consts  --      1.4454                 1.4518                 1.4934
 IR Inten    --      3.0945                 7.4278                 9.6850
 RamAct Fr= 1--      5.4208                 2.5228                 5.2478
  Dep-P Fr= 1--      0.6909                 0.7377                 0.5642
  Dep-U Fr= 1--      0.8172                 0.8490                 0.7214
 Alpha2 Fr= 1--      0.0056                 0.0005                 0.0185
 Beta2  Fr= 1--      0.7383                 0.3570                 0.6310
 AlphaG Fr= 1--     -0.0008                -0.0027                 0.0088
 Gamma2 Fr= 1--     -0.2457                -1.1807                 0.2217
 Delta2 Fr= 1--      0.1221                -0.7761                 0.1078
 Raman1 Fr= 1--      21.683                 10.091                 20.991
 ROA1   Fr= 1--     -19.678               -138.179                 24.730
 CID1   Fr= 1--      -0.908                -13.693                  1.178
 Raman2 Fr= 1--       8.860                  4.284                  7.571
 ROA2   Fr= 1--      -6.874                -22.127                  4.458
 CID2   Fr= 1--      -0.776                 -5.165                  0.589
 Raman3 Fr= 1--      17.720                  8.568                 15.143
 ROA3   Fr= 1--     -19.678               -138.179                 24.730
 CID3   Fr= 1--      -1.111                -16.128                  1.633
 RC180  Fr= 1--       0.634                  0.698                  0.443
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.02     0.00  -0.00   0.00    -0.01  -0.04  -0.04
     2   6     0.00  -0.03   0.01     0.01  -0.04   0.01     0.01  -0.04   0.01
     3   6     0.01   0.00  -0.01     0.00   0.00   0.01    -0.00   0.00  -0.01
     4   6    -0.00  -0.01   0.01    -0.01  -0.00   0.00     0.02   0.01  -0.01
     5   6    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.01   0.00  -0.00
     6   6     0.01  -0.01   0.01    -0.00  -0.01   0.01    -0.00  -0.00   0.01
     7   1    -0.08   0.06   0.14     0.02  -0.02  -0.03    -0.21   0.16   0.40
     8   1     0.13   0.09   0.08    -0.02  -0.02  -0.01     0.35   0.25   0.21
     9   1     0.10   0.18  -0.08     0.16   0.30  -0.15     0.14   0.25  -0.14
    10   1    -0.16   0.14  -0.02    -0.28   0.25  -0.02    -0.24   0.21  -0.03
    11   6    -0.04   0.02   0.01    -0.00   0.01  -0.03     0.01  -0.01   0.01
    12   1    -0.03   0.00   0.02    -0.01  -0.01   0.01    -0.01  -0.01  -0.02
    13   1     0.03  -0.01  -0.07     0.05  -0.01  -0.06    -0.15   0.03   0.18
    14   1     0.01   0.06  -0.03     0.03   0.07  -0.01    -0.06  -0.21   0.06
    15   1     0.03  -0.03   0.02    -0.07   0.02  -0.01    -0.02   0.01   0.00
    16   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6     0.01  -0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.00   0.02   0.00    -0.01  -0.00  -0.03    -0.01  -0.02   0.01
    19   6    -0.03  -0.02   0.01    -0.00   0.01  -0.02     0.01   0.01   0.01
    20   1     0.02  -0.04  -0.11     0.03   0.08   0.04     0.02   0.03   0.01
    21   1    -0.04   0.09   0.05    -0.02  -0.02  -0.07    -0.01   0.01  -0.02
    22   1    -0.14   0.01  -0.00     0.11  -0.01   0.01     0.02  -0.01   0.01
    23   1    -0.18  -0.01   0.10     0.20  -0.11   0.36     0.13   0.04  -0.21
    24   1     0.11  -0.09  -0.24     0.10   0.32   0.15    -0.07  -0.00   0.10
    25   1     0.18  -0.24   0.06    -0.14  -0.20  -0.04    -0.03   0.27  -0.02
    26   1    -0.18   0.29   0.14     0.15  -0.16   0.31     0.01  -0.04  -0.17
    27   1     0.43  -0.11   0.11     0.11   0.21   0.01    -0.17  -0.07  -0.04
    28   1     0.28   0.06  -0.37    -0.21  -0.22   0.07    -0.01   0.05   0.07
    29   6     0.00   0.00   0.00    -0.01   0.00   0.00    -0.01   0.00  -0.00
    30   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.01
    34   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1788.9246              3029.7172              3033.5596
 Red. masses --     11.1076                 1.0352                 1.0402
 Frc consts  --     20.9438                 5.5985                 5.6400
 IR Inten    --    241.8387                22.2010                11.2107
 RamAct Fr= 1--     10.3493                77.5878                 7.6930
  Dep-P Fr= 1--      0.1570                 0.0121                 0.7488
  Dep-U Fr= 1--      0.2714                 0.0240                 0.8563
 Alpha2 Fr= 1--      0.1572                 1.6759                 0.0002
 Beta2  Fr= 1--      0.4681                 0.3102                 1.0980
 AlphaG Fr= 1--     -0.0558                -0.1643                 0.0016
 Gamma2 Fr= 1--     -0.5930                -0.6310                 0.2209
 Delta2 Fr= 1--     -0.0304                -1.6638                 0.6924
 Raman1 Fr= 1--      41.397                310.351                 30.772
 ROA1   Fr= 1--     -57.899               -113.814                 43.367
 CID1   Fr= 1--      -1.399                 -0.367                  1.409
 Raman2 Fr= 1--       5.618                  3.723                 13.176
 ROA2   Fr= 1--     -13.989                 -1.833                 -0.237
 CID2   Fr= 1--      -2.490                 -0.492                 -0.018
 Raman3 Fr= 1--      11.235                  7.446                 26.351
 ROA3   Fr= 1--     -57.899               -113.814                 43.367
 CID3   Fr= 1--      -5.153                -15.286                  1.646
 RC180  Fr= 1--      -0.457                 -0.952                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.02   0.03  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     7   1     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
     8   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.00   0.01
     9   1    -0.01  -0.02   0.01    -0.02   0.01   0.00    -0.01   0.00   0.00
    10   1     0.01  -0.02   0.00     0.03   0.03  -0.02     0.01   0.01  -0.01
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   1     0.01   0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.05   0.00   0.02     0.00   0.00  -0.00     0.00   0.01  -0.00
    14   1     0.01   0.03  -0.02    -0.00   0.00   0.00     0.01  -0.00  -0.01
    15   1     0.14   0.01   0.01    -0.00  -0.01  -0.01     0.00   0.01   0.01
    16   8     0.00  -0.05   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
    17   6    -0.00   0.00  -0.00    -0.00   0.00  -0.05    -0.00  -0.00   0.00
    18   6     0.00  -0.00   0.00    -0.01   0.00   0.00     0.04  -0.00  -0.01
    19   6     0.00  -0.00   0.00    -0.00   0.01   0.00    -0.02   0.03   0.01
    20   1    -0.01  -0.00   0.01     0.44  -0.29   0.13    -0.02   0.01  -0.00
    21   1     0.00  -0.01  -0.00    -0.44  -0.28   0.15     0.03   0.02  -0.01
    22   1     0.01  -0.00   0.01     0.01   0.53   0.30    -0.00   0.00   0.00
    23   1    -0.00  -0.00   0.00     0.00   0.03   0.01     0.00  -0.23  -0.07
    24   1     0.01   0.01  -0.00     0.04  -0.03   0.03    -0.34   0.25  -0.27
    25   1    -0.00  -0.00   0.00     0.02  -0.00  -0.07    -0.11   0.03   0.45
    26   1    -0.00   0.00  -0.00    -0.04  -0.02   0.01    -0.20  -0.11   0.03
    27   1    -0.00   0.00   0.00     0.03   0.00  -0.11     0.10   0.01  -0.44
    28   1     0.00  -0.00  -0.00     0.07  -0.04   0.05     0.34  -0.22   0.23
    29   6     0.00   0.76  -0.08    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   6     0.03  -0.07   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    31   8    -0.03  -0.48   0.05     0.00   0.00   0.00    -0.00   0.00  -0.00
    32   1     0.05  -0.17  -0.07     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1    -0.12   0.25  -0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    34   1     0.05  -0.15   0.09     0.00   0.00   0.00     0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3040.1271              3054.5447              3055.9499
 Red. masses --      1.0402                 1.0366                 1.0609
 Frc consts  --      5.6643                 5.6983                 5.8374
 IR Inten    --     51.8768                 2.5299                29.8673
 RamAct Fr= 1--    340.4057               181.8027                76.2775
  Dep-P Fr= 1--      0.0327                 0.0075                 0.3222
  Dep-U Fr= 1--      0.0633                 0.0148                 0.4874
 Alpha2 Fr= 1--      7.0058                 3.9703                 0.7312
 Beta2  Fr= 1--      3.5924                 0.4486                 6.1960
 AlphaG Fr= 1--     -0.0989                 0.0537                -0.0256
 Gamma2 Fr= 1--      0.1962                 0.0640                -3.9433
 Delta2 Fr= 1--      2.3759                -0.1626                -3.2378
 Raman1 Fr= 1--    1361.623                727.211                305.110
 ROA1   Fr= 1--      94.861                  0.939               -482.171
 CID1   Fr= 1--       0.070                  0.001                 -1.580
 Raman2 Fr= 1--      43.108                  5.383                 74.352
 ROA2   Fr= 1--     -14.300                  2.837                -68.738
 CID2   Fr= 1--      -0.332                  0.527                 -0.924
 Raman3 Fr= 1--      86.217                 10.766                148.703
 ROA3   Fr= 1--      94.861                  0.939               -482.171
 CID3   Fr= 1--       1.100                  0.087                 -3.242
 RC180  Fr= 1--      -0.873                 -0.970                 -0.025
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.03  -0.05
     2   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.02  -0.01
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
     4   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     7   1     0.03   0.01   0.01     0.00   0.00   0.00     0.58   0.26   0.14
     8   1    -0.02   0.00   0.02    -0.00   0.00   0.00    -0.46   0.14   0.48
     9   1    -0.02   0.01   0.00     0.00  -0.00  -0.00     0.11  -0.05  -0.01
    10   1     0.03   0.03  -0.02     0.00  -0.00  -0.00    -0.16  -0.15   0.09
    11   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.03  -0.02   0.03    -0.00   0.00  -0.00    -0.12   0.10  -0.15
    13   1    -0.00  -0.02   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
    14   1    -0.01   0.01   0.01     0.00  -0.00  -0.00     0.03  -0.02  -0.04
    15   1    -0.00  -0.02  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    16   8     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   6    -0.00   0.00  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.04  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    19   6     0.02  -0.03  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.09  -0.06   0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   1    -0.08  -0.05   0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1     0.00   0.09   0.05     0.00   0.00   0.00     0.00   0.02   0.01
    23   1     0.00  -0.22  -0.06    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    24   1    -0.32   0.24  -0.26    -0.00   0.00  -0.00     0.02  -0.01   0.01
    25   1    -0.10   0.03   0.41    -0.00   0.00   0.00     0.00   0.00  -0.01
    26   1     0.21   0.12  -0.03     0.00   0.00  -0.00     0.00   0.00  -0.00
    27   1    -0.10  -0.01   0.44    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    28   1    -0.35   0.23  -0.24    -0.00   0.00  -0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    30   6     0.00  -0.00   0.00    -0.02   0.04  -0.00     0.00  -0.00   0.00
    31   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    32   1     0.00   0.00  -0.00    -0.02  -0.32   0.54     0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.00     0.35   0.22  -0.03    -0.00  -0.00   0.00
    34   1     0.00   0.00   0.00    -0.05  -0.42  -0.51     0.00   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3067.5574              3069.4327              3080.4378
 Red. masses --      1.0702                 1.0676                 1.1012
 Frc consts  --      5.9336                 5.9263                 6.1567
 IR Inten    --     34.6101                11.7044                 1.3800
 RamAct Fr= 1--    106.6553                58.5566                 4.6615
  Dep-P Fr= 1--      0.0742                 0.3684                 0.5419
  Dep-U Fr= 1--      0.1382                 0.5384                 0.7029
 Alpha2 Fr= 1--      1.9880                 0.4838                 0.0186
 Beta2  Fr= 1--      2.4567                 5.2549                 0.5461
 AlphaG Fr= 1--      0.0824                -0.0132                 0.0655
 Gamma2 Fr= 1--      4.7326                 8.8045                -7.8376
 Delta2 Fr= 1--      4.0027                 3.4669                -4.9625
 Raman1 Fr= 1--     426.621                234.226                 18.646
 ROA1   Fr= 1--     582.418                956.171               -911.207
 CID1   Fr= 1--       1.365                  4.082                -48.869
 Raman2 Fr= 1--      29.480                 63.059                  6.553
 ROA2   Fr= 1--      81.561                183.572               -148.401
 CID2   Fr= 1--       2.767                  2.911                -22.646
 Raman3 Fr= 1--      58.961                126.119                 13.106
 ROA3   Fr= 1--     582.418                956.171               -911.207
 CID3   Fr= 1--       9.878                  7.582                -69.524
 RC180  Fr= 1--      -0.724                  0.077                  0.406
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.02    -0.01  -0.00   0.01     0.00   0.00  -0.00
     2   6    -0.03  -0.06   0.03    -0.00  -0.01   0.00    -0.00  -0.00   0.00
     3   6     0.01  -0.00   0.01     0.02  -0.02   0.03    -0.00   0.00  -0.00
     4   6    -0.01  -0.00   0.01     0.04   0.02  -0.04     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   1     0.02   0.01   0.00     0.06   0.03   0.02    -0.03  -0.01  -0.01
     8   1    -0.19   0.06   0.21     0.09  -0.03  -0.09    -0.03   0.01   0.03
     9   1    -0.27   0.12   0.02    -0.06   0.03   0.00     0.01  -0.00  -0.00
    10   1     0.59   0.55  -0.35     0.06   0.05  -0.03     0.01   0.01  -0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   1    -0.07   0.05  -0.08    -0.25   0.21  -0.32     0.01  -0.01   0.02
    13   1     0.00   0.06  -0.00    -0.01  -0.48   0.03    -0.00  -0.03   0.00
    14   1     0.07  -0.05  -0.08    -0.43   0.29   0.49    -0.02   0.02   0.03
    15   1     0.00   0.02   0.02     0.00   0.01   0.01    -0.00  -0.00  -0.00
    16   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    17   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02  -0.00
    18   6    -0.00   0.01   0.00    -0.00   0.00  -0.00    -0.02   0.02  -0.06
    19   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.02   0.06
    20   1    -0.03   0.02  -0.01     0.01  -0.01   0.00    -0.04   0.02  -0.01
    21   1    -0.02  -0.01   0.00    -0.00   0.00  -0.00     0.12   0.07  -0.04
    22   1     0.00  -0.06  -0.04    -0.00  -0.02  -0.01     0.00   0.14   0.08
    23   1    -0.00  -0.04  -0.01    -0.00  -0.02  -0.01    -0.00  -0.01  -0.02
    24   1     0.03  -0.02   0.03     0.00  -0.00   0.00     0.33  -0.24   0.25
    25   1     0.01  -0.00  -0.04    -0.00   0.00   0.01    -0.13   0.04   0.48
    26   1    -0.01  -0.01   0.00     0.02   0.02  -0.00    -0.00  -0.01   0.02
    27   1    -0.00   0.00   0.00    -0.01   0.00   0.01     0.12  -0.00  -0.47
    28   1     0.01  -0.01   0.01     0.03  -0.02   0.02    -0.35   0.23  -0.23
    29   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    33   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    34   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3081.7172              3086.5526              3088.2269
 Red. masses --      1.0833                 1.1003                 1.1005
 Frc consts  --      6.0618                 6.1762                 6.1836
 IR Inten    --     37.5755                61.2116                30.9320
 RamAct Fr= 1--    257.2212                30.5202               108.7685
  Dep-P Fr= 1--      0.0638                 0.7350                 0.3781
  Dep-U Fr= 1--      0.1200                 0.8472                 0.5487
 Alpha2 Fr= 1--      4.9161                 0.0078                 0.8697
 Beta2  Fr= 1--      5.1424                 4.3097                 9.9477
 AlphaG Fr= 1--     -0.1396                 0.0019                -0.5180
 Gamma2 Fr= 1--      8.2954                17.3707               -22.4740
 Delta2 Fr= 1--      1.5464                 2.8335                -3.0281
 Raman1 Fr= 1--    1028.885                122.081                435.074
 ROA1   Fr= 1--     845.845               1758.256              -2254.408
 CID1   Fr= 1--       0.822                 14.402                 -5.182
 Raman2 Fr= 1--      61.709                 51.716                119.372
 ROA2   Fr= 1--     186.718                394.228               -515.152
 CID2   Fr= 1--       3.026                  7.623                 -4.316
 Raman3 Fr= 1--     123.417                103.433                238.744
 ROA3   Fr= 1--     845.845               1758.256              -2254.408
 CID3   Fr= 1--       6.854                 16.999                 -9.443
 RC180  Fr= 1--      -0.760                  0.694                  0.097
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.02     0.01   0.00  -0.00    -0.08  -0.01   0.02
     2   6    -0.01  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.02   0.00
     3   6    -0.04   0.03  -0.05    -0.00   0.00  -0.01    -0.01   0.01  -0.02
     4   6     0.02   0.00  -0.03     0.00   0.00  -0.00     0.00  -0.01  -0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   1    -0.01  -0.00  -0.01    -0.09  -0.04  -0.03     0.63   0.29   0.18
     8   1    -0.21   0.07   0.23    -0.07   0.03   0.08     0.33  -0.12  -0.37
     9   1     0.05  -0.03  -0.00     0.04  -0.02  -0.00    -0.27   0.13   0.01
    10   1     0.06   0.06  -0.03    -0.01  -0.01   0.01     0.06   0.05  -0.03
    11   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.44  -0.36   0.54     0.06  -0.05   0.07     0.15  -0.12   0.18
    13   1    -0.01  -0.20   0.01    -0.00  -0.02   0.00     0.00   0.10  -0.01
    14   1    -0.27   0.18   0.30    -0.02   0.02   0.03    -0.01   0.01   0.02
    15   1     0.00   0.02   0.01     0.00   0.01   0.01     0.01   0.03   0.02
    16   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    17   6     0.01  -0.00   0.00    -0.03   0.04   0.00    -0.01   0.01   0.00
    18   6     0.00  -0.00   0.01    -0.01   0.01  -0.05    -0.00   0.01  -0.01
    19   6    -0.00   0.00   0.01    -0.02   0.01  -0.04     0.00   0.00  -0.00
    20   1    -0.05   0.03  -0.02     0.37  -0.24   0.12     0.06  -0.04   0.02
    21   1    -0.03  -0.02   0.01     0.06   0.05  -0.02     0.00   0.00  -0.00
    22   1     0.00  -0.00  -0.00    -0.01  -0.27  -0.15    -0.00  -0.07  -0.04
    23   1     0.00   0.01   0.01    -0.00   0.01  -0.01    -0.00  -0.07  -0.02
    24   1    -0.04   0.03  -0.03     0.28  -0.20   0.21     0.07  -0.05   0.05
    25   1     0.03  -0.01  -0.12    -0.12   0.03   0.42    -0.01   0.01   0.03
    26   1    -0.01  -0.00   0.00     0.01   0.01  -0.01    -0.03  -0.02   0.00
    27   1     0.02  -0.00  -0.07    -0.09   0.00   0.36    -0.00   0.00   0.01
    28   1    -0.00   0.00  -0.00     0.28  -0.18   0.18     0.01  -0.01   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3089.2548              3092.8392              3099.9202
 Red. masses --      1.1004                 1.1006                 1.0889
 Frc consts  --      6.1874                 6.2028                 6.1650
 IR Inten    --     20.0936                27.1032                 9.1174
 RamAct Fr= 1--    147.2699                75.7504                56.2090
  Dep-P Fr= 1--      0.6976                 0.6432                 0.3386
  Dep-U Fr= 1--      0.8218                 0.7829                 0.5059
 Alpha2 Fr= 1--      0.1348                 0.1459                 0.5118
 Beta2  Fr= 1--     20.1719                 9.8838                 4.7394
 AlphaG Fr= 1--     -0.0721                 0.1233                 0.6441
 Gamma2 Fr= 1--    -23.5833                19.6391               -18.1896
 Delta2 Fr= 1--     -9.4976                 9.7322               -12.0025
 Raman1 Fr= 1--     589.080                303.002                224.836
 ROA1   Fr= 1--   -2567.922               2196.787              -2130.278
 CID1   Fr= 1--      -4.359                  7.250                 -9.475
 Raman2 Fr= 1--     242.063                118.605                 56.873
 ROA2   Fr= 1--    -490.018                393.481               -340.530
 CID2   Fr= 1--      -2.024                  3.318                 -5.988
 Raman3 Fr= 1--     484.126                237.211                113.747
 ROA3   Fr= 1--   -2567.922               2196.787              -2130.278
 CID3   Fr= 1--      -5.304                  9.261                -18.728
 RC180  Fr= 1--       0.644                  0.566                  0.012
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.03   0.01
     5   6     0.00   0.01   0.01     0.00   0.01   0.01    -0.02  -0.06  -0.05
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   1     0.03   0.02   0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   1     0.01  -0.01  -0.02    -0.01   0.00   0.01     0.01  -0.00  -0.01
     9   1    -0.02   0.01   0.00    -0.06   0.03   0.00    -0.00   0.00  -0.00
    10   1     0.02   0.02  -0.01     0.03   0.03  -0.02    -0.01  -0.01   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   1     0.03  -0.02   0.03     0.01  -0.01   0.01     0.01  -0.01   0.02
    13   1     0.00   0.02  -0.00     0.00   0.03  -0.00    -0.01  -0.30   0.02
    14   1    -0.01   0.01   0.01    -0.02   0.01   0.02     0.12  -0.07  -0.13
    15   1    -0.02  -0.09  -0.07    -0.02  -0.10  -0.08     0.16   0.71   0.53
    16   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   6     0.03  -0.07  -0.01    -0.08  -0.04  -0.00    -0.01  -0.01  -0.00
    18   6    -0.01   0.01  -0.02     0.00  -0.01   0.02     0.00   0.00   0.00
    19   6    -0.02   0.01  -0.04    -0.00  -0.00  -0.00     0.01   0.00  -0.01
    20   1    -0.46   0.29  -0.15     0.30  -0.22   0.10    -0.01   0.00  -0.00
    21   1     0.06   0.02  -0.02     0.65   0.41  -0.23     0.09   0.05  -0.03
    22   1     0.02   0.50   0.29    -0.01   0.30   0.18     0.00   0.12   0.07
    23   1    -0.00  -0.02  -0.01     0.00   0.01   0.01     0.00  -0.00  -0.00
    24   1     0.14  -0.10   0.11    -0.09   0.07  -0.07    -0.00   0.00  -0.00
    25   1    -0.06   0.02   0.20     0.05  -0.01  -0.18     0.00  -0.00  -0.00
    26   1     0.04   0.03  -0.02     0.01   0.01  -0.00    -0.11  -0.07   0.02
    27   1    -0.09   0.00   0.34    -0.00  -0.00   0.01    -0.02   0.00   0.09
    28   1     0.25  -0.16   0.16     0.01  -0.00   0.00    -0.00   0.01  -0.01
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    32   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    34   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3112.1729              3113.4638              3118.5311
 Red. masses --      1.0997                 1.1009                 1.0989
 Frc consts  --      6.2755                 6.2879                 6.2965
 IR Inten    --      5.1083                16.7982                47.2973
 RamAct Fr= 1--     50.5714                66.0161                61.1155
  Dep-P Fr= 1--      0.7483                 0.3196                 0.5389
  Dep-U Fr= 1--      0.8560                 0.4844                 0.7004
 Alpha2 Fr= 1--      0.0014                 0.6380                 0.2484
 Beta2  Fr= 1--      7.2152                 5.3297                 7.1339
 AlphaG Fr= 1--      0.0058                 1.0634                 0.0076
 Gamma2 Fr= 1--      4.2394                 8.7225                 8.8422
 Delta2 Fr= 1--      3.3715                 3.2932                 4.5316
 Raman1 Fr= 1--     202.286                264.065                244.462
 ROA1   Fr= 1--     514.875                942.741                993.860
 CID1   Fr= 1--       2.545                  3.570                  4.065
 Raman2 Fr= 1--      86.582                 63.956                 85.606
 ROA2   Fr= 1--      74.775                182.994                175.960
 CID2   Fr= 1--       0.864                  2.861                  2.055
 Raman3 Fr= 1--     173.164                127.912                171.213
 ROA3   Fr= 1--     514.875                942.741                993.860
 CID3   Fr= 1--       2.973                  7.370                  5.805
 RC180  Fr= 1--       0.712                 -0.031                  0.401
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00   0.01
     2   6     0.00  -0.00  -0.00    -0.02   0.01   0.00    -0.08   0.01   0.01
     3   6    -0.00   0.00  -0.00     0.01  -0.00   0.01    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.02  -0.07  -0.02    -0.01   0.02   0.01
     5   6     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.00   0.01   0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00     0.15   0.07   0.05
     8   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.14  -0.05  -0.15
     9   1    -0.01   0.00   0.00     0.22  -0.11  -0.01     0.76  -0.38  -0.03
    10   1    -0.00  -0.00   0.00     0.04   0.04  -0.03     0.20   0.21  -0.13
    11   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   1     0.00  -0.00   0.00    -0.06   0.05  -0.07     0.01  -0.01   0.02
    13   1    -0.00  -0.03   0.00     0.03   0.72  -0.06    -0.01  -0.17   0.01
    14   1     0.01  -0.00  -0.01    -0.27   0.16   0.31     0.08  -0.05  -0.09
    15   1    -0.00  -0.01  -0.01     0.05   0.22   0.16    -0.01  -0.06  -0.04
    16   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.00   0.01   0.01
    19   6    -0.00  -0.00   0.00     0.03   0.01  -0.01    -0.01  -0.00   0.00
    20   1     0.00  -0.00   0.00    -0.01   0.00  -0.00     0.02  -0.02   0.01
    21   1     0.00   0.00  -0.00     0.01   0.01  -0.00     0.03   0.02  -0.01
    22   1    -0.00  -0.00  -0.00     0.00   0.03   0.02    -0.00   0.01   0.00
    23   1     0.00   0.00   0.00    -0.00  -0.06  -0.02    -0.00  -0.16  -0.05
    24   1    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.03  -0.02   0.02
    25   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.01   0.00  -0.05
    26   1     0.01   0.01  -0.00    -0.28  -0.17   0.04     0.06   0.04  -0.01
    27   1     0.00  -0.00  -0.00    -0.02   0.00   0.10     0.00  -0.00  -0.02
    28   1     0.00  -0.00   0.00    -0.05   0.04  -0.04     0.02  -0.01   0.01
    29   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    30   6    -0.00  -0.01  -0.09     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.02  -0.39   0.60    -0.00  -0.01   0.02     0.00  -0.00   0.00
    33   1     0.03   0.02  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    34   1     0.05   0.46   0.52     0.00   0.02   0.02     0.00   0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3129.5554              3131.1019              3159.5195
 Red. masses --      1.0947                 1.0953                 1.1027
 Frc consts  --      6.3170                 6.3269                 6.4854
 IR Inten    --     26.4264                23.3661                 8.1023
 RamAct Fr= 1--     58.1010                56.1709                75.3844
  Dep-P Fr= 1--      0.3582                 0.5924                 0.6077
  Dep-U Fr= 1--      0.5275                 0.7440                 0.7560
 Alpha2 Fr= 1--      0.4966                 0.1648                 0.1977
 Beta2  Fr= 1--      5.1078                 6.9653                 9.4985
 AlphaG Fr= 1--      0.4541                 0.0423                -0.0480
 Gamma2 Fr= 1--     -2.2781                 2.3169                -1.2637
 Delta2 Fr= 1--      0.8021                -0.9364                -0.6868
 Raman1 Fr= 1--     232.404                224.684                301.538
 ROA1   Fr= 1--    -193.029                192.457               -143.292
 CID1   Fr= 1--      -0.831                  0.857                 -0.475
 Raman2 Fr= 1--      61.293                 83.584                113.982
 ROA2   Fr= 1--     -61.092                 63.096                -24.835
 CID2   Fr= 1--      -0.997                  0.755                 -0.218
 Raman3 Fr= 1--     122.586                167.167                227.964
 ROA3   Fr= 1--    -193.029                192.457               -143.292
 CID3   Fr= 1--      -1.575                  1.151                 -0.629
 RC180  Fr= 1--       0.055                  0.488                  0.512
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.02  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.03  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.02  -0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   1     0.00   0.00   0.00     0.10   0.04   0.03    -0.00  -0.00  -0.00
     8   1     0.00   0.00  -0.00     0.03  -0.01  -0.04    -0.00   0.00   0.00
     9   1     0.01  -0.01  -0.00     0.11  -0.06  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.01  -0.00     0.08   0.08  -0.05    -0.00  -0.00   0.00
    11   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   1    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.01   0.27  -0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   1    -0.07   0.04   0.08    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.05   0.21   0.16    -0.00  -0.00  -0.00     0.00   0.01   0.00
    16   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   6     0.00  -0.00  -0.00     0.01  -0.08  -0.03     0.00  -0.00  -0.00
    19   6    -0.07  -0.03   0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   1    -0.00   0.00   0.00     0.00   0.01   0.01     0.00   0.00   0.00
    23   1     0.00   0.04   0.01     0.02   0.89   0.25     0.00   0.00   0.00
    24   1    -0.01   0.00  -0.00    -0.14   0.09  -0.12    -0.00   0.00  -0.00
    25   1    -0.00   0.00   0.00    -0.05  -0.00   0.22    -0.00   0.00   0.00
    26   1     0.74   0.44  -0.11    -0.04  -0.02   0.01     0.00   0.00  -0.00
    27   1     0.04  -0.00  -0.22    -0.00   0.00   0.01    -0.00  -0.00   0.00
    28   1     0.12  -0.10   0.10    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    29   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.07  -0.06   0.01
    31   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    32   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.15  -0.26
    33   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.78   0.46  -0.06
    34   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.16   0.21

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  8 and mass  15.99491
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  6 and mass  12.00000
 Atom    31 has atomic number  8 and mass  15.99491
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Molecular mass:   196.14633 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1396.385173819.652813882.59467
           X            0.99982  -0.01825  -0.00573
           Y            0.01847   0.99900   0.04084
           Z            0.00498  -0.04094   0.99915
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06203     0.02268     0.02231
 Rotational constants (GHZ):           1.29244     0.47249     0.46483
 Zero-point vibrational energy     793809.7 (Joules/Mol)
                                  189.72508 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     58.26    72.15   105.19   139.51   213.80
          (Kelvin)            281.91   315.99   321.43   338.48   343.69
                              349.87   387.40   478.08   503.26   524.92
                              581.48   622.29   684.77   741.47   758.85
                              839.84   854.83   893.19   925.82   954.29
                             1080.17  1151.59  1202.02  1222.65  1290.89
                             1327.73  1340.68  1370.33  1380.40  1386.64
                             1401.47  1436.72  1450.32  1473.14  1509.37
                             1522.05  1537.22  1541.24  1593.55  1638.71
                             1673.99  1687.81  1714.21  1763.08  1777.54
                             1805.62  1815.66  1828.34  1847.44  1882.05
                             1889.57  1923.20  1930.97  1961.31  2010.17
                             2023.53  2033.00  2042.42  2058.54  2117.27
                             2126.66  2136.50  2141.96  2153.14  2158.87
                             2162.60  2170.04  2177.49  2191.46  2199.08
                             2573.86  4359.09  4364.62  4374.06  4394.81
                             4396.83  4413.53  4416.23  4432.06  4433.90
                             4440.86  4443.27  4444.75  4449.91  4460.09
                             4477.72  4479.58  4486.87  4502.73  4504.96
                             4545.84
 
 Zero-point correction=                           0.302346 (Hartree/Particle)
 Thermal correction to Energy=                    0.316883
 Thermal correction to Enthalpy=                  0.317827
 Thermal correction to Gibbs Free Energy=         0.261350
 Sum of electronic and zero-point Energies=           -619.787303
 Sum of electronic and thermal Energies=              -619.772766
 Sum of electronic and thermal Enthalpies=            -619.771822
 Sum of electronic and thermal Free Energies=         -619.828299
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  198.847             56.782            118.866
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.726
 Rotational               0.889              2.981             31.405
 Vibrational            197.069             50.820             45.735
 Vibration     1          0.594              1.981              5.235
 Vibration     2          0.595              1.978              4.812
 Vibration     3          0.599              1.967              4.068
 Vibration     4          0.603              1.951              3.514
 Vibration     5          0.618              1.904              2.690
 Vibration     6          0.636              1.846              2.171
 Vibration     7          0.647              1.811              1.962
 Vibration     8          0.649              1.805              1.931
 Vibration     9          0.655              1.787              1.838
 Vibration    10          0.657              1.781              1.811
 Vibration    11          0.659              1.774              1.780
 Vibration    12          0.674              1.730              1.601
 Vibration    13          0.714              1.611              1.249
 Vibration    14          0.727              1.576              1.167
 Vibration    15          0.738              1.545              1.101
 Vibration    16          0.769              1.461              0.948
 Vibration    17          0.793              1.399              0.850
 Vibration    18          0.833              1.303              0.721
 Vibration    19          0.870              1.216              0.621
 Vibration    20          0.882              1.189              0.593
 Vibration    21          0.941              1.067              0.479
 Vibration    22          0.952              1.044              0.460
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.612970-120       -120.212561       -276.799651
 Total V=0       0.719272D+19         18.856893         43.419601
 Vib (Bot)       0.348493-134       -134.457806       -309.600540
 Vib (Bot)    1  0.510908D+01          0.708343          1.631019
 Vib (Bot)    2  0.412232D+01          0.615142          1.416416
 Vib (Bot)    3  0.281962D+01          0.450191          1.036603
 Vib (Bot)    4  0.211768D+01          0.325861          0.750322
 Vib (Bot)    5  0.136507D+01          0.135156          0.311208
 Vib (Bot)    6  0.101921D+01          0.008263          0.019025
 Vib (Bot)    7  0.900794D+00         -0.045375         -0.104479
 Vib (Bot)    8  0.884127D+00         -0.053485         -0.123155
 Vib (Bot)    9  0.835262D+00         -0.078177         -0.180010
 Vib (Bot)   10  0.821260D+00         -0.085519         -0.196915
 Vib (Bot)   11  0.805185D+00         -0.094104         -0.216683
 Vib (Bot)   12  0.718022D+00         -0.143862         -0.331255
 Vib (Bot)   13  0.561525D+00         -0.250631         -0.577099
 Vib (Bot)   14  0.527548D+00         -0.277738         -0.639515
 Vib (Bot)   15  0.500758D+00         -0.300372         -0.691632
 Vib (Bot)   16  0.439674D+00         -0.356869         -0.821722
 Vib (Bot)   17  0.402063D+00         -0.395706         -0.911146
 Vib (Bot)   18  0.352624D+00         -0.452688         -1.042352
 Vib (Bot)   19  0.314547D+00         -0.502314         -1.156621
 Vib (Bot)   20  0.303949D+00         -0.517200         -1.190897
 Vib (Bot)   21  0.260084D+00         -0.584887         -1.346752
 Vib (Bot)   22  0.252838D+00         -0.597157         -1.375005
 Vib (V=0)       0.408929D+05          4.611648         10.618711
 Vib (V=0)    1  0.563349D+01          0.750777          1.728729
 Vib (V=0)    2  0.465253D+01          0.667689          1.537411
 Vib (V=0)    3  0.336361D+01          0.526806          1.213016
 Vib (V=0)    4  0.267591D+01          0.427471          0.984289
 Vib (V=0)    5  0.195376D+01          0.290872          0.669757
 Vib (V=0)    6  0.163525D+01          0.213583          0.491793
 Vib (V=0)    7  0.153026D+01          0.184764          0.425436
 Vib (V=0)    8  0.151572D+01          0.180618          0.415888
 Vib (V=0)    9  0.147348D+01          0.168344          0.387627
 Vib (V=0)   10  0.146149D+01          0.164797          0.379458
 Vib (V=0)   11  0.144780D+01          0.160708          0.370044
 Vib (V=0)   12  0.137496D+01          0.138290          0.318425
 Vib (V=0)   13  0.125187D+01          0.097560          0.224639
 Vib (V=0)   14  0.122685D+01          0.088791          0.204448
 Vib (V=0)   15  0.120764D+01          0.081939          0.188670
 Vib (V=0)   16  0.116582D+01          0.066631          0.153423
 Vib (V=0)   17  0.114160D+01          0.057515          0.132434
 Vib (V=0)   18  0.111184D+01          0.046041          0.106013
 Vib (V=0)   19  0.109071D+01          0.037710          0.086830
 Vib (V=0)   20  0.108514D+01          0.035484          0.081706
 Vib (V=0)   21  0.106360D+01          0.026778          0.061658
 Vib (V=0)   22  0.106029D+01          0.025426          0.058544
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.107975D+09          8.033324         18.497412
 Rotational      0.162900D+07          6.211921         14.303477
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000003658   -0.000030212    0.000030968
      2        6           0.000045933    0.000052805   -0.000016391
      3        6           0.000039962   -0.000010728   -0.000036515
      4        6          -0.000024666    0.000004330    0.000019804
      5        6          -0.000002967    0.000008917   -0.000008026
      6        6          -0.000024684   -0.000003066    0.000018762
      7        1          -0.000009513   -0.000000794    0.000007121
      8        1          -0.000002990    0.000005735   -0.000000916
      9        1          -0.000003299   -0.000001636   -0.000000715
     10        1           0.000017438   -0.000005908    0.000009608
     11        6          -0.000003130    0.000007243   -0.000000823
     12        1           0.000001796    0.000000935    0.000000154
     13        1          -0.000010275   -0.000000686    0.000003118
     14        1           0.000008383    0.000012014   -0.000004338
     15        1           0.000010641   -0.000008644    0.000006920
     16        8           0.000003050    0.000005576    0.000000306
     17        6          -0.000000850   -0.000004895    0.000004071
     18        6          -0.000002085   -0.000000929   -0.000003366
     19        6          -0.000012641    0.000004187    0.000003525
     20        1          -0.000002560   -0.000003375   -0.000003891
     21        1          -0.000005237    0.000004698   -0.000005056
     22        1           0.000002549    0.000002740    0.000018171
     23        1          -0.000030007   -0.000006092   -0.000015144
     24        1          -0.000004024   -0.000000771    0.000001911
     25        1           0.000000631   -0.000003244    0.000012150
     26        1          -0.000009647   -0.000000111   -0.000014774
     27        1           0.000015622   -0.000017526   -0.000017407
     28        1           0.000000706   -0.000000670   -0.000000158
     29        6           0.000000814   -0.000000621    0.000002331
     30        6          -0.000000489   -0.000001502   -0.000001684
     31        8           0.000000398   -0.000001563   -0.000003978
     32        1          -0.000000299   -0.000000843   -0.000001680
     33        1          -0.000000161   -0.000002112   -0.000002781
     34        1          -0.000002058   -0.000003252   -0.000001275
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000052805 RMS     0.000012848
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.164328D+03 -0.218353D+01 -0.748957D+00
      2  -0.218353D+01  0.137947D+03 -0.399449D+00
      3  -0.748957D+00 -0.399449D+00  0.131963D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.287766D+00  0.867460D+00  0.785098D+01
      2  -0.321431D+00 -0.444848D+01 -0.485663D+02
      3  -0.409353D+01  0.221233D+02  0.357928D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.497539D+01  0.360474D+01 -0.470828D+00
      2   0.742398D+01  0.574669D+01 -0.116582D+02
      3  -0.244859D+01 -0.935143D+01  0.121290D+02
      4  -0.107198D+02 -0.494984D+02 -0.134432D+02
      5   0.733730D+01 -0.124843D+02 -0.101192D+03
      6  -0.544145D+01  0.141575D+01 -0.327393D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.281512D+01  0.302975D+01  0.341445D+01  0.237723D+01  0.757971D+00
      2   0.302975D+01  0.862414D+00  0.235430D+00  0.757971D+00 -0.304002D+01
      3   0.341445D+01  0.235430D+00 -0.356408D+01  0.668831D+00  0.725136D-01
                 6             7             8             9            10 
      1   0.668831D+00  0.190575D+01  0.497371D+00 -0.307661D+01 -0.261154D+01
      2   0.725136D-01  0.497371D+00  0.631004D-01  0.280885D+01  0.414513D+01
      3   0.250498D+01 -0.307661D+01  0.280885D+01  0.533991D+00 -0.131731D+01
                11            12            13            14            15 
      1   0.414513D+01 -0.131731D+01  0.353196D+01  0.597010D-01 -0.142618D+01
      2  -0.653051D-01 -0.146144D+01  0.597010D-01  0.434980D+00 -0.312226D+01
      3  -0.146144D+01  0.200446D+01 -0.142618D+01 -0.312226D+01 -0.283853D+01
                16            17            18            19            20 
      1  -0.768842D+00 -0.168362D+01  0.138303D+01 -0.991675D+00 -0.358303D+01
      2  -0.168362D+01 -0.279692D+01 -0.150397D+01 -0.358303D+01  0.484121D+00
      3   0.138303D+01 -0.150397D+01  0.190039D+01  0.427722D+00 -0.126661D+01
                21            22            23            24            25 
      1   0.427722D+00 -0.404821D+01  0.476671D+00 -0.160531D+01 -0.502162D+00
      2  -0.126661D+01  0.476671D+00  0.354550D+01  0.221374D+01 -0.119813D+01
      3   0.477128D+01 -0.160531D+01  0.221374D+01 -0.244579D+01  0.599842D+01
                26            27            28            29            30 
      1  -0.119813D+01  0.599842D+01  0.667542D+00  0.183526D+01  0.154208D+01
      2   0.827030D+00 -0.351900D+01  0.183526D+01 -0.287981D+00  0.913398D-01
      3  -0.351900D+01 -0.116947D+01  0.154208D+01  0.913398D-01 -0.344855D+01
                31            32            33            34            35 
      1   0.276113D+01 -0.943860D+00 -0.176759D+00 -0.258380D+00  0.378823D+00
      2  -0.943860D+00 -0.503791D+01  0.121441D+01  0.378823D+00  0.445290D+00
      3  -0.176759D+00  0.121441D+01  0.232613D+01 -0.380732D+01  0.181494D+01
                36            37            38            39            40 
      1  -0.380732D+01 -0.532091D+01  0.138384D+01 -0.136485D+01  0.204062D+01
      2   0.181494D+01  0.138384D+01  0.706355D+00 -0.114399D+01 -0.194808D+00
      3  -0.337852D+00 -0.136485D+01 -0.114399D+01  0.310132D+01 -0.112466D+01
                41            42            43            44            45 
      1  -0.194808D+00 -0.112466D+01  0.864893D+00 -0.776246D+00  0.140635D+01
      2  -0.925287D+00 -0.236611D+01 -0.776246D+00 -0.158218D+01 -0.172574D+01
      3  -0.236611D+01 -0.277124D+01  0.140635D+01 -0.172574D+01  0.152582D+01
                46            47            48            49            50 
      1   0.249895D+01 -0.467558D+01  0.318464D+01 -0.648464D+01  0.111081D+01
      2  -0.467558D+01  0.130118D+01  0.520587D+00  0.111081D+01  0.364531D+00
      3   0.318464D+01  0.520587D+00  0.676836D+00  0.463786D+00  0.381341D+01
                51            52            53            54            55 
      1   0.463786D+00  0.371749D+01 -0.198184D+00  0.200209D-01 -0.572405D+01
      2   0.381341D+01 -0.198184D+00  0.446488D+01  0.176110D+01 -0.271090D+01
      3   0.134848D+01  0.200209D-01  0.176110D+01 -0.357721D+01 -0.272046D+01
                56            57            58            59            60 
      1  -0.271090D+01 -0.272046D+01 -0.216278D+01 -0.198388D+01 -0.112365D+01
      2  -0.255362D+01 -0.158396D+01 -0.198388D+01 -0.201642D+01 -0.124290D+01
      3  -0.158396D+01 -0.237111D+01 -0.112365D+01 -0.124290D+01 -0.143563D+01
                61            62            63            64            65 
      1  -0.162646D+01 -0.971656D+00 -0.148365D+01  0.196891D+01 -0.123963D+01
      2  -0.971656D+00 -0.911895D+00 -0.132165D+01 -0.123963D+01  0.141860D+01
      3  -0.148365D+01 -0.132165D+01 -0.195999D+01 -0.246572D+01  0.136915D+01
                66            67            68            69            70 
      1  -0.246572D+01 -0.658463D+00  0.664009D+00  0.375050D+00 -0.176164D+01
      2   0.136915D+01  0.664009D+00 -0.106690D+01 -0.145034D+01  0.623929D+00
      3   0.383297D+01  0.375050D+00 -0.145034D+01 -0.160885D+01  0.218943D+01
                71            72            73            74            75 
      1   0.623929D+00  0.218943D+01  0.550583D+01 -0.290238D+01  0.277359D+00
      2  -0.172224D+01 -0.235540D+01 -0.290238D+01  0.349253D+01  0.293765D+00
      3  -0.235540D+01 -0.630324D+01  0.277359D+00  0.293765D+00  0.857551D+00
                76            77            78            79            80 
      1  -0.212193D+01  0.215612D+01  0.216533D+00  0.141777D+00  0.206900D+00
      2   0.215612D+01 -0.325965D+01  0.232182D+00  0.206900D+00  0.258831D+00
      3   0.216533D+00  0.232182D+00 -0.337645D+00  0.645088D+00 -0.587652D+00
                81            82            83            84            85 
      1   0.645088D+00 -0.249436D+01 -0.234778D+01  0.889870D+00 -0.206730D+01
      2  -0.587652D+00 -0.234778D+01 -0.305216D+01  0.960182D+00 -0.215278D+01
      3  -0.147165D+00  0.889870D+00  0.960182D+00 -0.140918D+01  0.640100D+00
                86            87            88            89            90 
      1  -0.215278D+01  0.640100D+00  0.100306D+01  0.106547D+01 -0.104806D+01
      2  -0.512613D+01  0.165743D+01  0.106547D+01  0.236282D+01 -0.127909D+01
      3   0.165743D+01 -0.105589D+01 -0.104806D+01 -0.127909D+01  0.128149D+01
                91            92            93            94            95 
      1  -0.157878D+01  0.570579D+01 -0.223028D+01  0.687189D+01 -0.611953D+00
      2   0.570579D+01 -0.159960D+01  0.927046D+00 -0.611953D+00 -0.350052D+01
      3  -0.223028D+01  0.927046D+00 -0.475099D+01  0.111678D+01 -0.355437D+01
                96            97            98            99           100 
      1   0.111678D+01 -0.157719D+01  0.716318D+00 -0.417625D+01 -0.329224D+01
      2  -0.355437D+01  0.716318D+00 -0.296857D+01  0.106059D+01  0.183667D+01
      3   0.154375D+01 -0.417625D+01  0.106059D+01  0.470972D+01 -0.280427D+01
               101           102           103           104           105 
      1   0.183667D+01 -0.280427D+01  0.201281D+01 -0.144054D+01  0.134928D+01
      2  -0.137876D+01  0.133184D+01 -0.144054D+01  0.193499D+01 -0.233082D+01
      3   0.133184D+01 -0.341385D+01  0.134928D+01 -0.233082D+01  0.258960D+01
               106           107           108           109           110 
      1  -0.210285D+01  0.911152D+00 -0.307981D+01  0.333252D+00  0.920301D+00
      2   0.911152D+00 -0.176337D+01  0.225822D+01  0.920301D+00  0.445047D+00
      3  -0.307981D+01  0.225822D+01 -0.573123D+01 -0.259779D+00 -0.136468D+00
               111           112           113           114           115 
      1  -0.259779D+00  0.148889D+01  0.903574D+00 -0.241254D+00  0.155437D-01
      2  -0.136468D+00  0.903574D+00  0.788432D+01 -0.207522D+01 -0.147037D+00
      3   0.301170D+00 -0.241254D+00 -0.207522D+01  0.170797D+01  0.424917D+00
               116           117           118           119           120 
      1  -0.147037D+00  0.424917D+00  0.349642D+01 -0.508841D+00 -0.231860D+01
      2  -0.107963D+01  0.112862D+01 -0.508841D+00  0.545943D+00  0.113931D+00
      3   0.112862D+01 -0.828270D+00 -0.231860D+01  0.113931D+00  0.286261D+01
               121           122           123           124           125 
      1  -0.175280D+01  0.580662D+00  0.832103D+00 -0.279729D+01  0.387564D-01
      2   0.580662D+00 -0.682157D-01 -0.983545D+00  0.387564D-01 -0.924357D+00
      3   0.832103D+00 -0.983545D+00 -0.169023D+01  0.264400D+01 -0.438762D+00
               126           127           128           129           130 
      1   0.264400D+01  0.209331D+01  0.831376D+00  0.101330D+01  0.251281D+01
      2  -0.438762D+00  0.831376D+00  0.223413D+00  0.336954D+00  0.672106D-01
      3  -0.466824D+01  0.101330D+01  0.336954D+00  0.280132D+00  0.427088D+00
               131           132           133           134           135 
      1   0.672106D-01  0.427088D+00  0.140843D+01  0.430989D+00  0.165201D+00
      2   0.315382D+01  0.173967D+01  0.430989D+00  0.182606D+01  0.164648D+01
      3   0.173967D+01  0.213169D+01  0.165201D+00  0.164648D+01  0.239888D+01
               136           137           138           139           140 
      1  -0.743330D+00 -0.217281D+01  0.552667D+00 -0.536242D+01  0.282800D+00
      2  -0.217281D+01 -0.132452D+01 -0.159618D+00  0.282800D+00 -0.186387D+01
      3   0.552667D+00 -0.159618D+00 -0.170003D+01  0.662573D-01  0.606023D+00
               141           142           143           144           145 
      1   0.662573D-01  0.523026D+00 -0.177559D+00 -0.486409D+00 -0.229663D+00
      2   0.606023D+00 -0.177559D+00  0.162977D+00 -0.663311D+00  0.462391D+01
      3  -0.295930D+00 -0.486409D+00 -0.663311D+00  0.359442D+00 -0.347674D+01
               146           147           148           149           150 
      1   0.462391D+01 -0.347674D+01  0.472880D+01 -0.298256D+00 -0.217412D+00
      2  -0.291145D+00 -0.159131D+00 -0.298256D+00 -0.130756D+01 -0.427508D+01
      3  -0.159131D+00 -0.310956D+00 -0.217412D+00 -0.427508D+01 -0.164815D+01
               151           152           153           154           155 
      1  -0.300270D+01  0.152823D-01 -0.637172D-02  0.142997D+00 -0.394005D+01
      2   0.152823D-01 -0.334645D+01 -0.165853D+01 -0.394005D+01  0.533319D+00
      3  -0.637172D-02 -0.165853D+01  0.249801D+01  0.205220D+01 -0.708529D+00
               156           157           158           159           160 
      1   0.205220D+01 -0.471189D+01  0.112620D+01 -0.897838D+00  0.234154D+01
      2  -0.708529D+00  0.112620D+01  0.435462D+01  0.228655D+01 -0.849772D+00
      3   0.298593D+01 -0.897838D+00  0.228655D+01 -0.781287D+00  0.420524D+01
               161           162           163           164           165 
      1  -0.849772D+00  0.420524D+01 -0.213381D+00 -0.516220D+01  0.161982D+01
      2   0.235365D+01 -0.663726D+00 -0.516220D+01  0.377784D+00 -0.975762D+00
      3  -0.663726D+00 -0.466444D+01  0.161982D+01 -0.975762D+00  0.240254D+01
               166           167           168           169           170 
      1  -0.482694D+01 -0.608520D-01 -0.108144D+01  0.192996D+01 -0.114663D+01
      2  -0.608520D-01  0.211520D+01  0.275789D+01 -0.114663D+01  0.297617D+01
      3  -0.108144D+01  0.275789D+01 -0.401613D+00  0.300559D+01 -0.137350D+01
               171           172           173           174           175 
      1   0.300559D+01  0.458823D+01 -0.238614D+01  0.245806D+01 -0.248112D+01
      2  -0.137350D+01 -0.238614D+01  0.199359D+01 -0.144574D+01  0.171048D+01
      3  -0.537535D+01  0.245806D+01 -0.144574D+01  0.304220D+01 -0.115962D+01
               176           177           178           179           180 
      1   0.171048D+01 -0.115962D+01  0.127143D+01 -0.707830D+00  0.164489D+01
      2  -0.227186D+01  0.203467D+01 -0.707830D+00  0.104244D+01 -0.995094D+00
      3   0.203467D+01 -0.181713D+01  0.164489D+01 -0.995094D+00  0.171977D+01
               181           182           183           184           185 
      1  -0.418939D+01 -0.225113D+01  0.230679D+01 -0.234165D+01 -0.158232D+01
      2  -0.225113D+01 -0.187416D+01  0.137647D+01 -0.158232D+01 -0.216021D+01
      3   0.230679D+01  0.137647D+01 -0.300696D+01  0.110473D+01  0.193480D+01
               186           187           188           189           190 
      1   0.110473D+01  0.150333D+01  0.752332D+00 -0.165443D+01  0.178780D+00
      2   0.193480D+01  0.752332D+00  0.105879D+01 -0.961674D+00  0.212721D+00
      3  -0.189900D+01 -0.165443D+01 -0.961674D+00  0.188650D+01  0.106480D+01
               191           192           193           194           195 
      1   0.212721D+00  0.106480D+01  0.696652D+00  0.643498D-01  0.219496D+00
      2   0.123456D+00  0.143012D+00  0.643498D-01  0.394299D+01  0.271909D+01
      3   0.143012D+00  0.271284D+00  0.219496D+00  0.271909D+01  0.447063D+01
               196           197           198           199           200 
      1   0.773864D+00  0.513833D-01  0.706510D-01 -0.322194D+00 -0.967845D+00
      2   0.513833D-01  0.193505D+01  0.224406D+01 -0.967845D+00 -0.863476D+00
      3   0.706510D-01  0.224406D+01  0.391802D+01 -0.589457D+00 -0.130774D-01
               201           202           203           204           205 
      1  -0.589457D+00 -0.235345D+01 -0.171893D+01  0.838322D-01 -0.108762D+01
      2  -0.130774D-01 -0.171893D+01 -0.609251D+01 -0.110836D+01 -0.129996D+00
      3  -0.278696D+00  0.838322D-01 -0.110836D+01 -0.107094D+01 -0.566819D+00
               206           207           208           209           210 
      1  -0.129996D+00 -0.566819D+00 -0.720260D+01  0.194828D+01 -0.207160D+01
      2  -0.121049D+01 -0.864807D+00  0.194828D+01 -0.116570D+01  0.522979D+00
      3  -0.864807D+00 -0.232904D+00 -0.207160D+01  0.522979D+00 -0.152198D+01
               211           212           213           214           215 
      1   0.408076D+01 -0.185944D+01  0.906787D+00 -0.405705D+01  0.928550D+00
      2  -0.185944D+01  0.125603D+01 -0.897600D+00  0.928550D+00 -0.113347D+01
      3   0.906787D+00 -0.897600D+00  0.100158D+01 -0.243099D+01  0.732450D+00
               216           217           218           219           220 
      1  -0.243099D+01 -0.228198D+01  0.239578D+00  0.171755D+01  0.767554D+00
      2   0.732450D+00  0.239578D+00 -0.334096D+00  0.126803D+00 -0.706790D+00
      3  -0.132746D+01  0.171755D+01  0.126803D+00 -0.186166D+01 -0.525176D-01
               221           222           223           224           225 
      1  -0.706790D+00 -0.525176D-01  0.372387D+01  0.244559D+00 -0.356463D+01
      2  -0.284708D+00  0.664506D+00  0.244559D+00  0.851114D+00 -0.506997D-01
      3   0.664506D+00  0.285245D+00 -0.356463D+01 -0.506997D-01  0.656278D+01
               226           227           228           229           230 
      1   0.424289D+01  0.186356D+01 -0.516698D+00  0.201086D+01  0.184303D+01
      2   0.186356D+01  0.309615D+01  0.398168D+00  0.184303D+01  0.337429D+01
      3  -0.516698D+00  0.398168D+00  0.706709D+00  0.106069D+00 -0.165577D+00
               231           232           233           234           235 
      1   0.106069D+00 -0.616646D+00  0.183161D+00  0.368553D+00 -0.115259D+01
      2  -0.165577D+00  0.183161D+00 -0.643972D+00  0.607586D+00  0.100594D+01
      3   0.544643D+00  0.368553D+00  0.607586D+00  0.318718D+00  0.119552D+01
               236           237           238           239           240 
      1   0.100594D+01  0.119552D+01  0.367434D+00 -0.300385D+00 -0.489789D-01
      2  -0.621085D+00 -0.403398D+00 -0.300385D+00  0.351287D+00  0.862870D+00
      3  -0.403398D+00 -0.155852D+01 -0.489789D-01  0.862870D+00  0.511868D+00
               241           242           243           244           245 
      1   0.162581D+01 -0.849635D+00 -0.220796D+01 -0.486619D+01  0.371866D+01
      2  -0.849635D+00  0.214561D+01  0.222729D+01  0.371866D+01 -0.363031D+01
      3  -0.220796D+01  0.222729D+01  0.744994D+01 -0.118011D+01  0.752701D+00
               246           247           248           249           250 
      1  -0.118011D+01  0.265463D+01 -0.260165D+01  0.695402D+00 -0.229475D+01
      2   0.752701D+00 -0.260165D+01  0.377148D+01 -0.117296D+01  0.168620D+01
      3  -0.132024D+01  0.695402D+00 -0.117296D+01  0.672678D+00 -0.151993D+01
               251           252           253           254           255 
      1   0.168620D+01 -0.151993D+01  0.485583D+01  0.209169D+01 -0.393014D+00
      2  -0.262641D+01  0.131856D+01  0.209169D+01  0.952043D+00 -0.115016D+00
      3   0.131856D+01 -0.818011D+00 -0.393014D+00 -0.115016D+00  0.697039D+00
               256           257           258           259           260 
      1  -0.181863D+01 -0.206085D+01 -0.195967D+00 -0.149607D+00  0.202841D+00
      2  -0.206085D+01 -0.526570D+01  0.317548D+00  0.202841D+00  0.484002D+00
      3  -0.195967D+00  0.317548D+00 -0.591565D+00  0.887838D+00 -0.781403D+00
               261           262           263           264           265 
      1   0.887838D+00 -0.240463D+01 -0.431441D+01  0.362762D+00 -0.566508D+01
      2  -0.781403D+00 -0.431441D+01  0.146262D+00  0.197547D+00 -0.143611D+01
      3   0.449670D+00  0.362762D+00  0.197547D+00  0.357093D+00  0.187720D+00
               266           267           268           269           270 
      1  -0.143611D+01  0.187720D+00  0.670076D+00  0.245899D+00 -0.118534D+01
      2   0.318729D+01  0.406325D+00  0.245899D+00  0.560357D+00  0.465485D+01
      3   0.406325D+00  0.393263D+01 -0.118534D+01  0.465485D+01 -0.107718D+01
               271           272           273           274           275 
      1   0.128440D+01  0.220297D+01 -0.265052D+00  0.898365D+01  0.340563D+01
      2   0.220297D+01  0.119604D+01  0.209779D-01  0.340563D+01  0.104592D+02
      3  -0.265052D+00  0.209779D-01  0.140217D+00  0.155304D+00 -0.492326D+00
               276           277           278           279           280 
      1   0.155304D+00 -0.569666D+00 -0.138519D+00  0.117821D+01  0.990845D+00
      2  -0.492326D+00 -0.138519D+00 -0.639729D+00  0.242436D+01 -0.112577D+00
      3   0.189675D+01  0.117821D+01  0.242436D+01 -0.641716D+00  0.845983D+00
               281           282           283           284           285 
      1  -0.112577D+00  0.845983D+00 -0.154771D+01  0.149435D+01 -0.618065D+00
      2  -0.354640D-01 -0.105745D+00  0.149435D+01 -0.356500D+01  0.191534D+01
      3  -0.105745D+00  0.155336D+00 -0.618065D+00  0.191534D+01 -0.255426D+01
               286           287           288           289           290 
      1   0.268707D+01 -0.118976D+01  0.161910D+01  0.916486D+01  0.185875D+01
      2  -0.118976D+01  0.263277D+01 -0.296078D+01  0.185875D+01  0.135597D+01
      3   0.161910D+01 -0.296078D+01  0.492169D+01 -0.225806D+00 -0.536289D-01
               291           292           293           294           295 
      1  -0.225806D+00  0.435014D+01  0.161919D+01 -0.669403D-01 -0.536215D+00
      2  -0.536289D-01  0.161919D+01  0.133411D+01 -0.118359D+00 -0.536031D-01
      3   0.107844D+01 -0.669403D-01 -0.118359D+00  0.319001D+00  0.123382D+01
               296           297           298           299           300 
      1  -0.536031D-01  0.123382D+01  0.791351D+00 -0.178857D+00 -0.725836D+00
      2  -0.172895D+00 -0.114695D+00 -0.178857D+00 -0.176833D+00  0.132329D-01
      3  -0.114695D+00 -0.542127D-01 -0.725836D+00  0.132329D-01 -0.831551D-02
               301           302           303           304           305 
      1  -0.183279D+01  0.163064D+01  0.421443D+00 -0.239785D+01  0.103827D+01
      2   0.163064D+01 -0.461212D+01 -0.209314D+01  0.103827D+01 -0.292835D+01
      3   0.421443D+00 -0.209314D+01 -0.254394D+01  0.120421D+01 -0.286847D+01
               306 
      1   0.120421D+01
      2  -0.286847D+01
      3  -0.352089D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.303565D+01 -0.128820D+01 -0.644990D+01 -0.162734D+01  0.970889D+01
      2   0.240453D+01  0.784961D+01  0.167686D+02  0.594129D+01  0.167763D+01
      3  -0.294236D+00 -0.620573D+01 -0.568010D+01 -0.165864D+01 -0.760953D+01
                 6             7             8             9            10 
      1   0.283575D+01 -0.591463D+01  0.777757D+01 -0.828353D+01 -0.927289D+00
      2  -0.173690D+01  0.789461D+01 -0.344856D+01 -0.932381D+01  0.165080D+01
      3   0.158859D+00 -0.279722D+01 -0.649310D+00  0.929948D+01  0.847084D+01
                11            12            13            14            15 
      1  -0.484308D+01  0.535193D+01 -0.493665D+01 -0.793594D+01 -0.991679D+01
      2  -0.690693D+00  0.267190D+01 -0.229379D+00  0.192316D+01  0.223023D+01
      3  -0.134837D+02  0.123036D+01 -0.820581D+01  0.304584D+00  0.290580D+01
                16            17            18            19            20 
      1   0.372547D+01 -0.239873D+01  0.673287D+01  0.660805D+01  0.258630D+00
      2  -0.196820D+01  0.131809D+01 -0.388344D+00 -0.613370D+01 -0.348842D+01
      3  -0.292764D-01  0.234179D+01 -0.526258D+01 -0.769186D+01 -0.420649D+01
                21            22            23            24            25 
      1   0.532668D+00  0.176612D+01 -0.938499D+01 -0.537158D+01 -0.128509D+00
      2  -0.422909D+01 -0.406130D+01 -0.282611D+01  0.150993D+01 -0.136596D+02
      3  -0.284525D+01  0.238870D+01  0.609006D+01  0.163490D+01 -0.214509D+01
                26            27            28            29            30 
      1   0.136871D+01  0.675931D+01 -0.787521D+01  0.965768D-01  0.435715D+01
      2   0.332228D+01  0.122904D+02  0.393309D+01  0.367144D+01  0.477351D+01
      3   0.935941D+00 -0.306715D+01  0.278010D+01  0.180302D+01  0.445975D+01
                31            32            33            34            35 
      1  -0.526489D+00  0.100694D+02 -0.802491D+01  0.595423D+01 -0.108121D+01
      2   0.706339D+01 -0.140293D+01 -0.536455D+00 -0.920717D+00 -0.183231D+00
      3   0.835788D+01  0.293259D+01 -0.144021D+01  0.426633D+01 -0.667565D+00
                36            37            38            39            40 
      1  -0.155575D+01  0.493107D+00  0.970617D+00 -0.189804D+01 -0.113978D+01
      2  -0.686054D+01  0.499125D+01 -0.228421D+01  0.137399D+01 -0.415986D+01
      3  -0.392047D+01 -0.285721D+01  0.379965D+01  0.761351D+00  0.663180D+01
                41            42            43            44            45 
      1   0.116236D+01 -0.214314D+01 -0.503912D+01  0.143924D+01 -0.425854D+01
      2  -0.150864D+01 -0.203268D+01 -0.454059D+01 -0.219984D+01  0.175338D+01
      3   0.110643D+01  0.140705D+01 -0.101800D+01 -0.106009D+00  0.116056D+01
                46            47            48            49            50 
      1  -0.261131D+01  0.639912D+00 -0.384375D+00  0.209627D+01  0.395894D+01
      2  -0.228088D+01  0.421499D+01  0.764600D-01  0.399307D+01 -0.346611D+01
      3  -0.300359D+01  0.818462D+00 -0.186991D+01  0.814899D+01 -0.170257D+01
                51            52            53            54            55 
      1   0.188493D+01  0.279323D+00  0.989359D+01  0.958369D+00  0.245762D+01
      2   0.902669D-01 -0.941767D+01 -0.258315D+00  0.178638D+01 -0.102578D+02
      3   0.182896D+01 -0.215115D+01  0.402080D+01  0.134212D+01  0.686097D+01
                56            57            58            59            60 
      1   0.448100D+01 -0.158729D+01  0.289095D+01  0.229063D+01 -0.119487D+01
      2  -0.308553D+01  0.241748D-01 -0.365565D+01 -0.268264D+01  0.299753D+00
      3  -0.182757D+01  0.145180D+01  0.213280D+01 -0.715132D+00 -0.903642D-01
                61            62            63            64            65 
      1  -0.400902D+00  0.118351D+01  0.295520D+00 -0.855218D+00 -0.270002D+01
      2  -0.223503D+01 -0.740249D-01  0.555287D+00  0.929134D+01 -0.435538D+01
      3   0.125980D+01 -0.486398D+00  0.140541D+00 -0.606507D+01  0.204063D+01
                66            67            68            69            70 
      1   0.410448D+01 -0.696471D+00 -0.145750D+00 -0.104661D+01  0.239818D+01
      2  -0.914453D+01 -0.237601D+01  0.362277D+01  0.278407D+01 -0.921110D+01
      3   0.564448D+01  0.314793D+01 -0.198368D+01 -0.303878D+01  0.449073D+01
                71            72            73            74            75 
      1   0.288280D+01 -0.479490D+01  0.126531D+01  0.441318D+00  0.363856D+01
      2   0.430846D+01  0.125106D+02  0.506265D+00 -0.187447D+00  0.105146D+01
      3  -0.250058D+01 -0.701625D+01 -0.189080D+02  0.705322D+01 -0.832841D+00
                76            77            78            79            80 
      1  -0.141859D+00  0.116486D+01 -0.200047D+01  0.139042D+01  0.231440D+00
      2  -0.418707D+00  0.186049D+00 -0.982415D+00 -0.179036D+01  0.284258D+00
      3   0.822442D+01 -0.661344D+01 -0.291628D+00 -0.347888D-01 -0.616275D+00
                81            82            83            84            85 
      1  -0.399535D+00  0.200562D+01  0.207033D+01 -0.496361D+01  0.187417D+01
      2  -0.217056D+00 -0.179242D+00 -0.509511D+00  0.222377D+01  0.151658D+00
      3  -0.176231D+01  0.650342D+01  0.114171D+01 -0.175486D+01  0.469773D+01
                86            87            88            89            90 
      1   0.381766D+01 -0.452252D+01 -0.235604D+01 -0.105694D+01  0.435221D+01
      2  -0.821640D+00  0.177122D+01 -0.536993D+00  0.107783D+01 -0.125551D+01
      3  -0.613438D-01 -0.656877D+00 -0.262414D+01  0.117350D-02  0.138133D+01
                91            92            93            94            95 
      1   0.225518D+01 -0.332538D+00  0.168048D+01  0.142521D+00  0.103015D+01
      2   0.329064D+01 -0.252278D+01  0.135850D+02 -0.335154D+01  0.719963D+01
      3   0.147067D+02 -0.371975D+01  0.785397D+00  0.829330D+01 -0.986571D+01
                96            97            98            99           100 
      1  -0.513398D+01  0.164162D+01  0.220423D+01 -0.445064D+01 -0.220555D+01
      2  -0.206217D+01  0.524331D+01 -0.164307D+01 -0.124463D+02 -0.263727D+01
      3  -0.731029D+01  0.123195D+01 -0.632913D+01 -0.375683D+00  0.679359D+00
               101           102           103           104           105 
      1   0.319553D+01  0.103267D+00  0.176138D+01 -0.320786D+01  0.114847D+01
      2   0.123417D+01  0.272071D+01  0.252603D+01  0.116310D+01 -0.251267D+01
      3  -0.296330D+01  0.799233D+00  0.267954D+00  0.283659D+01 -0.306798D+01
               106           107           108           109           110 
      1  -0.466965D+00  0.498122D+01 -0.912123D+00 -0.170288D+01 -0.656516D+00
      2  -0.186183D+01 -0.143576D+01  0.407983D+01 -0.275253D+00  0.140520D+01
      3  -0.522140D+00 -0.317533D+01  0.208876D+01  0.461874D+00  0.490274D+00
               111           112           113           114           115 
      1  -0.314730D+00 -0.103088D+01 -0.127183D+02 -0.140415D+01 -0.702915D-02
      2   0.234509D-01  0.294207D+01  0.268781D+01  0.418544D+00 -0.163037D+01
      3  -0.227103D+00  0.564441D+01 -0.149823D+01 -0.296243D+00 -0.426775D+00
               116           117           118           119           120 
      1   0.866162D+00 -0.105906D+01  0.398988D+01 -0.222355D+01 -0.339645D+01
      2  -0.953737D-01  0.121083D+01  0.761433D+01 -0.890002D+00 -0.110399D+01
      3  -0.435673D+00  0.369918D+00  0.419275D+01 -0.241977D+01 -0.344818D+01
               121           122           123           124           125 
      1  -0.176882D+01  0.192341D+01  0.287536D+01 -0.266836D+01  0.441118D+01
      2  -0.447098D+01  0.984694D+00  0.160507D+00 -0.614950D+01 -0.294687D+00
      3  -0.875358D+00  0.166079D+01  0.135947D+01 -0.342069D+01  0.166560D+01
               126           127           128           129           130 
      1   0.582644D+01  0.859165D+00 -0.610777D-01 -0.730529D+00  0.327985D+00
      2   0.298194D+01 -0.160313D-01  0.917419D-01  0.465270D+00 -0.150946D+01
      3   0.371777D+01  0.108261D+01  0.707688D+00  0.449028D+00  0.648856D+01
               131           132           133           134           135 
      1   0.627735D+00 -0.231046D+01  0.853673D+00  0.107239D+01 -0.189523D+01
      2   0.191144D+01  0.196580D+01 -0.358563D+01  0.988266D+00  0.255327D+01
      3  -0.229237D+01 -0.111363D+01  0.212993D+01 -0.109021D+01 -0.242271D+00
               136           137           138           139           140 
      1  -0.165642D+00  0.969817D-01 -0.482913D+00  0.506745D-01 -0.161962D+01
      2  -0.778875D+00 -0.882522D+00  0.720064D+01  0.219531D+01  0.618656D+00
      3   0.150254D+02 -0.818344D+01  0.164499D+01  0.126038D+02  0.492798D+01
               141           142           143           144           145 
      1  -0.341144D+01  0.665269D+00  0.117479D+01  0.350312D+00  0.100200D+02
      2  -0.117144D+01 -0.787396D+01 -0.258574D+01  0.616030D+00  0.230087D+01
      3  -0.755648D+00 -0.160884D+00  0.349291D+00  0.208587D+01  0.306790D+01
               146           147           148           149           150 
      1  -0.421799D+00 -0.777388D-01 -0.692146D+00 -0.794566D+01 -0.185168D+02
      2  -0.131985D+02  0.152548D+02 -0.125246D+02  0.281480D+01  0.599615D+00
      3  -0.636796D+01  0.377633D+01 -0.256112D+01 -0.195542D+00 -0.187506D+01
               151           152           153           154           155 
      1  -0.485017D+00 -0.100627D+02 -0.341403D+01 -0.109664D+01  0.567753D-01
      2   0.650629D+01  0.127119D+01 -0.174049D+01 -0.813416D+01  0.391913D+01
      3   0.234130D+01 -0.215783D+01 -0.967200D+00 -0.154925D+02  0.160210D+01
               156           157           158           159           160 
      1   0.588844D+00  0.747780D+00  0.300035D+01 -0.871953D+00  0.139499D+01
      2  -0.108270D+02  0.502045D+01 -0.985188D+01  0.269423D+01 -0.217739D+02
      3  -0.289386D+01  0.943476D+01  0.201158D+02  0.923098D+01 -0.366582D+01
               161           162           163           164           165 
      1   0.297945D+01 -0.102411D+01 -0.846231D+01  0.217908D+01 -0.615922D+01
      2   0.199780D+01  0.182030D+02 -0.313533D+01  0.722458D+01 -0.449852D+01
      3   0.950094D+01 -0.253223D+01 -0.139052D+02 -0.163662D+02  0.106306D+01
               166           167           168           169           170 
      1   0.216302D+01 -0.628804D+01  0.136335D+01 -0.852601D+01  0.961045D+01
      2   0.642896D+01 -0.569133D+01  0.157253D+01 -0.105466D+02  0.431384D+01
      3  -0.111772D+02  0.304974D+01  0.386049D+01  0.184666D+01  0.407638D+01
               171           172           173           174           175 
      1   0.141676D+02 -0.492816D+01  0.529693D+01 -0.155466D+00  0.376002D+01
      2   0.113142D+02 -0.157772D+02  0.723512D+01 -0.601381D+01  0.840616D+01
      3   0.300477D+01 -0.713493D+01  0.158524D+01 -0.282957D+01  0.488598D+01
               176           177           178           179           180 
      1  -0.455237D+01  0.192611D+01 -0.841696D+00  0.329155D+01 -0.101176D+01
      2  -0.581585D+01  0.334368D+01 -0.596950D+01  0.302555D+01 -0.477358D+01
      3  -0.203438D+01  0.212389D+01 -0.174104D+01  0.696424D+00 -0.216335D+01
               181           182           183           184           185 
      1  -0.436716D+01 -0.524345D+01 -0.551168D-01 -0.350501D+01 -0.416021D+01
      2   0.119787D+02  0.490015D+01 -0.130594D+01  0.643596D+01  0.274782D+01
      3   0.346835D+01 -0.119095D+01 -0.596712D+00  0.224915D+01 -0.102007D+01
               186           187           188           189           190 
      1   0.168005D+01  0.899577D+00  0.340033D+01 -0.117328D+01  0.136874D+01
      2  -0.715448D+00 -0.407897D+01 -0.154692D+01  0.230801D+01 -0.883005D+00
      3   0.492978D+00 -0.794381D+00  0.702432D+00  0.665698D+00  0.191154D+00
               191           192           193           194           195 
      1  -0.551665D-01  0.575633D+00 -0.186256D+00  0.161050D+02  0.856198D+01
      2  -0.774690D+00 -0.184182D+01 -0.379242D+01 -0.134369D+01 -0.292179D+01
      3  -0.490809D+00 -0.598221D+00  0.171843D+01  0.189816D+01  0.154717D+01
               196           197           198           199           200 
      1   0.171094D+00  0.928552D+01  0.848775D+01 -0.707881D+00 -0.615780D-02
      2  -0.362875D+01 -0.149293D+01 -0.277116D+01  0.212974D+01  0.382339D+00
      3   0.188638D+00  0.123738D+01  0.123037D+01 -0.400682D+01 -0.256317D+01
               201           202           203           204           205 
      1  -0.295189D+00  0.640378D-02 -0.299670D+01 -0.363304D+01  0.520706D-01
      2   0.133725D+01 -0.231724D+00  0.520116D+01  0.536725D+01  0.616761D+00
      3   0.452617D+00 -0.925337D+00 -0.262261D+02 -0.557751D+01  0.768013D+00
               206           207           208           209           210 
      1  -0.391753D+00 -0.965381D+00  0.930558D-01  0.520141D+00  0.295473D+00
      2   0.380584D+01  0.180814D+01  0.926842D+01 -0.283485D+01  0.884193D+01
      3  -0.578087D+01 -0.350234D+01  0.828689D+01 -0.751974D+01  0.289115D+01
               211           212           213           214           215 
      1  -0.295689D+00 -0.477507D+00 -0.103079D+01 -0.114185D+00  0.111454D+01
      2  -0.408782D+01  0.395506D+01 -0.520185D+01  0.832062D+01 -0.301133D+01
      3  -0.546895D+01  0.574565D+01 -0.355752D+01  0.368004D+01 -0.587687D+01
               216           217           218           219           220 
      1   0.386863D+00  0.483220D+00 -0.753048D+00 -0.757069D+00 -0.114322D+00
      2   0.656564D+01 -0.544214D+01 -0.433656D+00  0.756070D+01 -0.181972D+00
      3   0.309953D+01  0.121336D+01 -0.230750D+01 -0.136499D+00 -0.135619D+01
               221           222           223           224           225 
      1   0.382454D-01 -0.541587D+00 -0.568147D+00  0.303941D+01  0.180064D+01
      2  -0.204764D+01 -0.822214D+00  0.854459D+01  0.135557D+00 -0.260999D+02
      3  -0.112444D+01  0.197950D+01  0.412832D+00  0.466753D+01  0.755153D-01
               226           227           228           229           230 
      1   0.358990D+01  0.139907D+01 -0.340052D+01  0.168535D+01  0.267339D+01
      2  -0.330144D+01 -0.214961D+01  0.548933D+00 -0.189479D+01 -0.114713D+01
      3   0.197226D+02  0.953326D+01 -0.148280D+01  0.114504D+02  0.106560D+02
               231           232           233           234           235 
      1  -0.284064D+01 -0.174476D+01 -0.756225D+00  0.214757D+00 -0.196060D+01
      2  -0.169986D+00 -0.114641D+01 -0.108242D+01 -0.851456D+00 -0.149786D+01
      3  -0.436482D+00 -0.206843D+01 -0.939464D+00  0.247511D+01  0.141579D+00
               236           237           238           239           240 
      1   0.911667D-01  0.345196D+01  0.381848D+00 -0.194580D+01 -0.132311D+01
      2   0.400339D+00  0.341354D+01 -0.237903D+00 -0.188206D+01 -0.654686D+00
      3  -0.306642D+00  0.138122D+01  0.116857D+01  0.765970D-02  0.136234D+01
               241           242           243           244           245 
      1   0.428275D+01  0.169978D+00 -0.179194D+02  0.553502D+01 -0.367921D+01
      2   0.654613D+00 -0.406089D+01 -0.159601D+02  0.502529D+01 -0.387897D+01
      3   0.258926D+01  0.397473D+01  0.406878D+00 -0.354851D+01 -0.233084D+01
               246           247           248           249           250 
      1   0.522459D+01 -0.357765D+01  0.487212D+01 -0.415995D+01  0.438051D+01
      2   0.557796D+01 -0.311948D+01  0.423776D+01 -0.292322D+01  0.357433D+01
      3  -0.136504D+01  0.267876D+01  0.314118D+01 -0.692286D+00 -0.240963D+01
               251           252           253           254           255 
      1  -0.321329D+01  0.338304D+01 -0.371784D+00 -0.166618D+00 -0.126012D+01
      2  -0.376770D+01  0.335344D+01 -0.287967D+01 -0.109510D+01 -0.107584D+02
      3  -0.322245D+01 -0.337522D+00 -0.124910D+02  0.735154D+00  0.699266D+00
               256           257           258           259           260 
      1   0.580832D+00  0.153955D+01  0.729664D+01  0.914113D+00  0.982836D+01
      2  -0.225007D+01  0.201248D+01 -0.791660D+01 -0.196478D+02 -0.104306D+01
      3   0.869222D+00  0.226602D+02 -0.176023D+01  0.231498D+01 -0.244962D+01
               261           262           263           264           265 
      1  -0.179598D+01 -0.126308D+00  0.395224D+00  0.164930D+01  0.860743D-02
      2   0.185214D+01  0.175819D+01  0.157668D+01  0.576155D+01  0.196623D+01
      3   0.250847D+01  0.214531D+02 -0.938341D+00 -0.122140D+01  0.153971D+02
               266           267           268           269           270 
      1   0.867520D+00  0.197628D+01 -0.356569D+01  0.761960D+01 -0.632836D+00
      2   0.194339D+01  0.171686D+02 -0.915004D+01  0.225981D+02 -0.500505D+01
      3  -0.132075D+02 -0.193682D+01 -0.147178D+01 -0.288860D+01 -0.206929D+02
               271           272           273           274           275 
      1   0.605746D+00  0.384678D+00  0.798872D+00  0.876788D-01 -0.348748D-01
      2  -0.101890D+01  0.175792D-01  0.657406D+01  0.616520D+00 -0.240914D+01
      3  -0.791855D+01 -0.684798D+01 -0.460446D+00  0.335533D+01 -0.378438D+02
               276           277           278           279           280 
      1  -0.976207D+01 -0.287220D+00  0.294420D+00  0.114659D+01  0.458678D+00
      2   0.112069D+02  0.489710D+01  0.765516D+01 -0.311095D+01  0.339085D+01
      3   0.203361D+01 -0.100838D+01  0.265644D+01 -0.763173D+01  0.981255D-01
               281           282           283           284           285 
      1  -0.148216D+00 -0.617229D-01 -0.694337D+00  0.103902D+01 -0.345796D+01
      2  -0.351640D+00  0.753487D+00 -0.222373D+01  0.865841D+01 -0.113580D+02
      3  -0.525211D+00 -0.404574D+00 -0.373487D+01  0.142799D+02 -0.793720D+01
               286           287           288           289           290 
      1   0.119255D+01 -0.941295D+00  0.482984D+01 -0.108392D+00  0.336899D-02
      2   0.496498D+01 -0.131955D+02  0.217598D+02 -0.201757D+01 -0.524910D+00
      3   0.207164D+01 -0.109172D+02  0.123073D+02 -0.146047D+02 -0.980368D+01
               291           292           293           294           295 
      1   0.297786D+00  0.687086D-01 -0.397255D-01 -0.822538D+00  0.753467D+00
      2   0.679879D+01 -0.709802D+00 -0.694963D+00  0.194976D+01  0.402983D+01
      3   0.500839D+00 -0.827954D+01 -0.748121D+01  0.579027D+00  0.578422D+00
               296           297           298           299           300 
      1   0.461058D+00 -0.263212D-01 -0.580274D+00  0.132175D-02 -0.220998D+00
      2  -0.596093D+00 -0.429292D+00 -0.326137D+01 -0.185352D+00  0.322413D+00
      3   0.913391D+00  0.750719D-02  0.603997D+00  0.281898D+00  0.856257D+00
               301           302           303           304           305 
      1   0.906678D+00 -0.223519D+01 -0.408873D+01  0.107611D+01 -0.170283D+01
      2   0.180005D+01 -0.995407D+01 -0.114144D+02  0.391316D+01 -0.129990D+02
      3  -0.382976D+01  0.189738D+02  0.895994D+01 -0.168089D+01  0.125491D+02
               306 
      1  -0.431943D+01
      2  -0.158990D+02
      3   0.121065D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.187670D+01 -0.107998D+02 -0.192414D+02 -0.785006D+01 -0.101048D+02
      2   0.765560D+01  0.407196D+01 -0.404341D+01  0.385019D+01  0.106430D+02
      3  -0.577891D+01  0.672781D+01  0.232848D+02  0.399988D+01 -0.538265D+00
      4  -0.162057D+02 -0.981967D+01 -0.129139D+02 -0.890906D+01  0.524267D+01
      5  -0.171515D+02 -0.150155D+02 -0.970620D+01 -0.120001D+02 -0.134020D+01
      6  -0.218495D+02 -0.719538D+01  0.478408D+01 -0.517234D+01  0.733740D+01
                 6             7             8             9            10 
      1   0.175783D+01 -0.135129D+02  0.263464D+01  0.142722D+02  0.981006D+01
      2   0.766530D+01 -0.344815D+01  0.667590D+01 -0.629877D+01 -0.209669D+02
      3  -0.942313D+01  0.169610D+02 -0.931054D+01 -0.797344D+01  0.111569D+02
      4  -0.987656D+00 -0.749880D+01 -0.847608D-01 -0.446690D+00  0.959583D+00
      5  -0.621473D+01 -0.261813D+01 -0.521326D+01  0.108190D+02  0.409834D+01
      6  -0.536906D+01  0.420941D+01 -0.730730D+01 -0.899742D+01  0.540397D+01
                11            12            13            14            15 
      1  -0.173591D+01 -0.475862D+00 -0.298415D+01 -0.370968D+00 -0.480421D+01
      2  -0.167464D+01  0.891327D+01 -0.719469D+00 -0.311304D+01  0.117870D+02
      3   0.341054D+01 -0.843741D+01  0.370362D+01  0.348400D+01 -0.698278D+01
      4  -0.170977D+02  0.633747D+01 -0.129596D+02 -0.243561D+01  0.986671D+01
      5   0.531712D+01 -0.430721D+01  0.458219D+01  0.775140D+01  0.392904D+01
      6   0.831609D+01 -0.615833D+01  0.626724D+01  0.993480D+01  0.147711D+01
                16            17            18            19            20 
      1  -0.239057D+01 -0.627635D+01 -0.422478D+01 -0.241954D-01  0.538861D+01
      2   0.861003D+01  0.147896D+02  0.969847D+01 -0.949122D-01 -0.570718D+01
      3  -0.621947D+01 -0.851325D+01 -0.547368D+01  0.119108D+00  0.318570D+00
      4   0.378448D+01  0.101457D+02 -0.362731D+01  0.946241D+01 -0.417521D+01
      5  -0.407581D+01  0.366915D+00 -0.509296D+01 -0.901038D+00  0.111245D+02
      6  -0.509061D+01  0.131228D+01 -0.343492D+01  0.114901D+02  0.545916D+00
                21            22            23            24            25 
      1   0.694139D+01  0.490767D+01  0.439639D+01 -0.108371D+01  0.110065D+02
      2   0.105783D+02 -0.621694D+01  0.104700D+01 -0.903671D+01  0.533406D+01
      3  -0.175196D+02  0.130927D+01 -0.544339D+01  0.101204D+02 -0.163405D+02
      4   0.793590D+01 -0.402041D+01 -0.691166D+01 -0.977706D+01  0.654487D+01
      5  -0.152627D+02  0.105423D+02 -0.104978D+02  0.119716D+02 -0.200286D+02
      6   0.996670D+01 -0.285265D+01 -0.827736D+01 -0.806736D+01  0.824531D+01
                26            27            28            29            30 
      1  -0.176761D+01 -0.165542D+02 -0.384338D+00  0.159991D+01 -0.927601D+01
      2  -0.598501D+01  0.101576D+02  0.812841D+01 -0.296866D+01 -0.699554D+01
      3   0.775262D+01  0.639658D+01 -0.774407D+01  0.136876D+01  0.162716D+02
      4  -0.537612D+01  0.142353D+02  0.162318D+01  0.170569D+01 -0.504262D+00
      5   0.135549D+02 -0.778646D+01 -0.643206D+00 -0.428396D+01 -0.688330D+01
      6  -0.496442D+01  0.905806D+01 -0.746822D+01  0.390045D+00 -0.298886D+01
                31            32            33            34            35 
      1   0.155439D+01  0.132333D+02  0.210996D+01 -0.120972D+02  0.279937D+01
      2  -0.451542D+01 -0.200811D+02  0.106204D+02 -0.472084D+01  0.460603D+01
      3   0.296103D+01  0.684779D+01 -0.127304D+02  0.168180D+02 -0.740540D+01
      4   0.234042D+01  0.202262D+00  0.157372D+01 -0.193582D+01 -0.293534D+00
      5  -0.523623D+01  0.633444D+01  0.213960D+01 -0.255743D+01 -0.306794D+00
      6   0.282424D+01  0.192130D+02 -0.141060D+01 -0.453607D+01  0.148253D+01
                36            37            38            39            40 
      1  -0.268763D+01 -0.341780D+02  0.264190D+01  0.990984D+00  0.910837D+01
      2   0.424083D+01  0.174889D+02 -0.290203D+01 -0.213945D-01 -0.315366D+01
      3  -0.155319D+01  0.166892D+02  0.260130D+00 -0.969589D+00 -0.595470D+01
      4  -0.349522D+01 -0.226235D+01 -0.965744D+01  0.155649D+01 -0.352959D+01
      5   0.904135D+01  0.740499D+00  0.231141D+01 -0.886195D+01  0.321598D+01
      6  -0.710226D+01  0.449492D+01 -0.136599D+01 -0.979044D+00 -0.218289D+01
                41            42            43            44            45 
      1   0.327641D+01 -0.133465D+01  0.433911D+01 -0.264329D+01  0.849131D+01
      2  -0.183808D+00 -0.223232D+01 -0.273071D+00  0.190202D+01 -0.282369D+01
      3  -0.309260D+01  0.356697D+01 -0.406604D+01  0.741275D+00 -0.566761D+01
      4   0.201470D+00 -0.211256D+01  0.153951D+01  0.889467D-01 -0.686782D+00
      5  -0.255457D+01 -0.260159D+01 -0.347307D+01 -0.195038D+01 -0.279056D+01
      6  -0.559987D+01 -0.810524D+01  0.806480D+00 -0.589438D+01 -0.668034D+00
                46            47            48            49            50 
      1  -0.173281D+02  0.759322D+01 -0.292616D+01  0.129012D+02 -0.635310D+01
      2   0.290768D+01  0.840478D-01  0.760941D-01 -0.546437D+01 -0.475757D+01
      3   0.144204D+02 -0.767727D+01  0.285007D+01 -0.743684D+01  0.111107D+02
      4   0.119416D+02 -0.215487D+01 -0.157922D+01 -0.633256D+00  0.454690D+00
      5  -0.338213D+01 -0.494723D+01  0.384624D+01 -0.423742D+01 -0.492118D+01
      6  -0.843990D+01  0.691563D+00  0.118669D+01  0.948707D+00 -0.596596D+01
                51            52            53            54            55 
      1   0.546042D+01 -0.737901D+01  0.854727D+01 -0.180836D+01  0.204313D+02
      2  -0.926341D+01  0.147369D+01 -0.129557D+02 -0.417314D+00 -0.122755D+02
      3   0.380299D+01  0.590532D+01  0.440844D+01  0.222568D+01 -0.815585D+01
      4  -0.697366D+01  0.167006D+01 -0.982611D+01  0.127255D+01  0.256295D+02
      5   0.124603D+00  0.238491D+01 -0.162778D+01  0.688692D+01  0.287633D+02
      6   0.567721D+01  0.373612D+00  0.227042D+01  0.341140D+01  0.171904D+02
                56            57            58            59            60 
      1   0.394669D+01  0.462831D+01  0.372954D+01  0.125322D+01 -0.116050D+01
      2   0.404988D+00 -0.629721D+01  0.130452D+01  0.364498D+01 -0.343212D+00
      3  -0.435168D+01  0.166890D+01 -0.503405D+01 -0.489820D+01  0.150371D+01
      4   0.179830D+02  0.139133D+02  0.156842D+02  0.138279D+02  0.820814D+01
      5   0.151624D+02  0.208294D+02  0.111489D+02  0.107191D+02  0.835111D+01
      6   0.141328D+02  0.124054D+02  0.105082D+02  0.112461D+02  0.103052D+02
                61            62            63            64            65 
      1   0.280445D+01 -0.110062D+01 -0.577873D+00 -0.802038D+01  0.887986D+01
      2  -0.450901D+01 -0.221293D+01 -0.511370D+01 -0.222050D+01 -0.364938D+01
      3   0.170455D+01  0.331355D+01  0.569157D+01  0.102409D+02 -0.523048D+01
      4   0.778293D+01  0.571063D+01  0.809691D+01 -0.298838D+01  0.263168D+01
      5   0.142101D+02  0.786934D+01  0.125175D+02 -0.540614D+01  0.354213D+01
      6   0.757789D+01  0.863132D+01  0.109202D+02  0.100263D+02 -0.873446D+01
                66            67            68            69            70 
      1   0.167307D+02  0.422269D+01 -0.827811D+01 -0.796997D+01  0.106435D+02
      2   0.379963D+01 -0.270783D+01  0.305641D+01  0.209347D+01  0.219844D+01
      3  -0.205303D+02 -0.151485D+01  0.522170D+01  0.587650D+01 -0.128419D+02
      4   0.493650D+01  0.279862D+01 -0.118487D+01 -0.187568D-01  0.406633D+01
      5   0.718900D+01  0.264445D+01 -0.124156D+01  0.283824D+00  0.636538D+01
      6  -0.141895D+02 -0.431258D+01  0.836483D+01  0.133835D+02 -0.718453D+01
                71            72            73            74            75 
      1  -0.107962D+02 -0.280498D+02 -0.322533D+01  0.107341D+02  0.124597D+01
      2   0.301902D+00 -0.946698D+01  0.139415D+02 -0.190517D+02 -0.100532D+01
      3   0.104943D+02  0.375167D+02 -0.107161D+02  0.831766D+01 -0.240647D+00
      4   0.433851D+00 -0.168803D+01 -0.155936D+02  0.111300D+02 -0.116140D+01
      5   0.849953D+00 -0.174497D+01 -0.223315D+01  0.712031D+00  0.112126D+01
      6   0.147087D+02  0.243574D+02 -0.244671D+00 -0.210172D+01 -0.444092D+01
                76            77            78            79            80 
      1   0.591377D+01 -0.100821D+02 -0.641317D-01  0.614432D+00  0.196800D+00
      2  -0.121727D+02  0.202891D+02 -0.173006D+01 -0.114327D+01 -0.129415D+01
      3   0.625897D+01 -0.102070D+02  0.179420D+01  0.528838D+00  0.109735D+01
      4   0.998860D+01 -0.801955D+01 -0.638190D+00 -0.176678D+00 -0.129934D+01
      5   0.498598D+00 -0.155110D+01 -0.452423D+00  0.248363D+01 -0.656588D+00
      6  -0.141648D+01  0.324059D+00  0.353520D+01 -0.351238D+01  0.526657D+01
                81            82            83            84            85 
      1  -0.211494D+01  0.363818D+01 -0.381205D+01 -0.307883D+00 -0.188451D+01
      2   0.148027D+01  0.820332D+01  0.155236D+02 -0.363309D+01  0.101453D+02
      3   0.634667D+00 -0.118415D+02 -0.117115D+02  0.394097D+01 -0.826076D+01
      4  -0.164444D+01  0.148164D+02  0.189838D+02 -0.630244D+01  0.147350D+02
      5   0.410190D+00 -0.440094D+01 -0.388716D+01  0.518509D+01 -0.260761D+01
      6   0.125567D+01 -0.456051D+01 -0.534153D+01  0.680370D+01 -0.376222D+01
                86            87            88            89            90 
      1  -0.115806D+02  0.340476D+01  0.208097D+00  0.574682D+01 -0.287182D+01
      2   0.301221D+02 -0.854636D+01 -0.360661D+01 -0.120854D+02  0.429254D+01
      3  -0.185414D+02  0.514161D+01  0.339852D+01  0.633860D+01 -0.142072D+01
      4   0.214349D+02 -0.685949D+01 -0.617236D+01 -0.871019D+01  0.708737D+01
      5  -0.540583D+01  0.367532D+01  0.447088D+01  0.450626D+01 -0.469222D+01
      6  -0.910082D+01  0.710659D+01  0.545195D+01  0.936884D+01 -0.746187D+01
                91            92            93            94            95 
      1  -0.268915D+01 -0.266582D+02  0.723837D+01 -0.307558D+02  0.884143D+01
      2   0.866971D+01  0.121100D+02 -0.283586D+01  0.148200D+02 -0.816026D+01
      3  -0.598055D+01  0.145481D+02 -0.440250D+01  0.159358D+02 -0.681166D+00
      4  -0.265406D+02  0.835177D+01 -0.214523D+01  0.583448D+01  0.126855D+02
      5   0.408477D+01 -0.312273D+00  0.150065D+02 -0.167196D+01  0.956012D+01
      6   0.359815D+01 -0.577242D+00 -0.230870D+01 -0.523327D+00 -0.195315D+01
                96            97            98            99           100 
      1  -0.189258D+01  0.683835D+01  0.741005D+00  0.179666D+02  0.959625D+01
      2  -0.188941D+01 -0.170193D+01 -0.540178D+01 -0.677129D+01 -0.121591D+02
      3   0.378199D+01 -0.513643D+01  0.466077D+01 -0.111953D+02  0.256284D+01
      4   0.123405D+02 -0.315494D+01  0.123791D+02 -0.649089D+01 -0.108438D+02
      5  -0.549791D+01  0.164240D+02 -0.405265D+01 -0.169763D+02  0.208481D+02
      6  -0.525237D+00 -0.278208D+01  0.101036D+01  0.388805D+01 -0.869793D+01
               101           102           103           104           105 
      1  -0.309769D+01  0.228212D+01 -0.213760D+01 -0.327767D+01  0.388012D+01
      2   0.378355D+01 -0.115048D+02  0.316580D+01 -0.113444D+01  0.393977D+01
      3  -0.685857D+00  0.922269D+01 -0.102820D+01  0.441211D+01 -0.781989D+01
      4   0.915507D+01 -0.824698D+01  0.954356D+01 -0.949828D+01  0.100178D+02
      5  -0.102878D+02  0.238128D+02 -0.104054D+02  0.118343D+02 -0.128821D+02
      6   0.643557D+01 -0.839955D+01  0.742365D+01 -0.109617D+02  0.148339D+02
               106           107           108           109           110 
      1  -0.948803D+00  0.344397D+01 -0.805466D+01 -0.811472D-01 -0.864032D+00
      2  -0.967831D+01  0.464040D+01 -0.174008D+02  0.268059D+01  0.226463D+01
      3   0.106271D+02 -0.808438D+01  0.254555D+02 -0.259944D+01 -0.140060D+01
      4  -0.633664D+01  0.731476D+01 -0.105002D+02  0.578083D+00  0.546563D+01
      5   0.206495D+02 -0.112416D+02  0.290608D+02 -0.830591D+00 -0.222854D+01
      6  -0.759220D+01  0.117907D+02 -0.151851D+02 -0.275973D+01 -0.137662D+01
               111           112           113           114           115 
      1   0.100147D+01 -0.105727D+01 -0.255713D+02  0.973330D+01  0.266791D+01
      2   0.250287D+00  0.252369D+01  0.360548D+02 -0.771920D+01  0.106988D+00
      3  -0.125175D+01 -0.146642D+01 -0.104835D+02 -0.201410D+01 -0.277490D+01
      4  -0.118055D+01  0.559707D+01  0.163208D+01 -0.124560D+01 -0.107834D+00
      5   0.299378D+01 -0.358050D+01 -0.433816D+01  0.109752D+01  0.265290D+01
      6   0.105813D+01 -0.409028D+01 -0.276479D+02  0.129313D+02  0.175418D+01
               116           117           118           119           120 
      1   0.551010D+01 -0.529403D+01  0.196664D+01 -0.114556D+01  0.463179D+01
      2  -0.237586D+01  0.320428D+01 -0.100038D+02  0.160460D+01  0.768366D+01
      3  -0.313424D+01  0.208975D+01  0.803711D+01 -0.459044D+00 -0.123155D+02
      4   0.135086D+00  0.436613D+00  0.161471D+01  0.145213D+01 -0.152167D+01
      5   0.799101D+00 -0.181796D+01 -0.123594D+02  0.122957D+01  0.130740D+02
      6   0.965021D+01 -0.611925D+01  0.123434D+00 -0.259698D+01  0.211638D+01
               121           122           123           124           125 
      1  -0.170802D+00 -0.368091D+01 -0.346631D+01  0.365675D+01 -0.452286D-01
      2   0.292057D+01  0.855290D+00 -0.493284D+01  0.769073D+01 -0.276082D+01
      3  -0.274976D+01  0.282562D+01  0.839915D+01 -0.113475D+02  0.280605D+01
      4   0.116691D+01 -0.682526D+00 -0.112229D+01 -0.161932D+01 -0.117275D+01
      5   0.440509D+01 -0.296753D+01 -0.396893D+01  0.119918D+02 -0.283081D+00
      6  -0.240625D+01  0.175736D+00  0.447406D+01  0.219886D+01  0.454184D+01
               126           127           128           129           130 
      1  -0.129422D+02  0.833012D+01  0.599787D+00  0.118005D+01  0.444077D+01
      2  -0.134543D+02 -0.309485D+01  0.868213D-01 -0.367225D+00 -0.209337D+01
      3   0.263965D+02 -0.523527D+01 -0.686609D+00 -0.812823D+00 -0.234740D+01
      4   0.185922D+01  0.152072D+01  0.300485D+01  0.193737D+01  0.423798D+01
      5  -0.137048D+02  0.208708D+01  0.151887D+01  0.291358D+01  0.216315D+01
      6  -0.192574D+01  0.267422D+01  0.113181D+01  0.171131D+01  0.127174D+01
               131           132           133           134           135 
      1  -0.885650D+01 -0.486634D+01  0.179115D+01 -0.411097D+01 -0.816560D+01
      2   0.102558D+02  0.440238D+01 -0.160812D+01  0.246692D+01  0.152929D+01
      3  -0.139927D+01  0.463955D+00 -0.183028D+00  0.164405D+01  0.663631D+01
      4   0.285755D+01  0.254065D+01  0.191287D+01  0.214387D+01  0.227457D+01
      5   0.253840D+01  0.261548D+01  0.357814D+01  0.262188D+01  0.414577D+01
      6   0.912620D+01  0.831515D+01  0.119935D+01  0.740868D+01  0.843910D+01
               136           137           138           139           140 
      1   0.202631D+02 -0.845134D+01  0.443238D+01 -0.223852D+02 -0.340611D+01
      2  -0.113466D+02  0.270741D+01 -0.205807D+01  0.123107D+02  0.498665D+01
      3  -0.891657D+01  0.574393D+01 -0.237431D+01  0.100745D+02 -0.158054D+01
      4  -0.701765D+01  0.166940D+02 -0.138054D+01  0.112172D+02 -0.379730D+01
      5   0.305410D+01 -0.112251D+01  0.146737D+02 -0.193400D+01  0.121410D+01
      6  -0.853675D+00 -0.572617D+00  0.622859D+00  0.263722D-02  0.271664D+00
               141           142           143           144           145 
      1   0.443364D+00  0.296174D+01  0.809845D+00 -0.466333D+01  0.117790D+02
      2   0.321529D+00 -0.710104D+00 -0.252598D+00  0.102314D+01 -0.155801D+01
      3  -0.764892D+00 -0.225164D+01 -0.557247D+00  0.364019D+01 -0.102210D+02
      4   0.133921D+01 -0.103385D+01 -0.407715D+00 -0.300812D+01 -0.714444D+01
      5   0.711359D+00  0.144488D+01 -0.170485D+01  0.569056D+00  0.436204D+01
      6   0.511848D+01  0.624274D+00  0.331637D+01 -0.866913D+00  0.258148D+02
               146           147           148           149           150 
      1  -0.655101D+01  0.505308D+01 -0.640701D+01  0.102597D+02  0.633926D+01
      2   0.319580D+01 -0.319127D+01  0.337383D+01  0.907850D+01  0.804064D+01
      3   0.335521D+01 -0.186182D+01  0.303318D+01 -0.193382D+02 -0.143799D+02
      4  -0.896676D+01  0.103288D+02 -0.882106D+01  0.172652D+01  0.582011D+01
      5   0.213525D+02 -0.170247D+02  0.210101D+02  0.446951D+01  0.195569D+01
      6  -0.172563D+01 -0.252356D-01 -0.154186D+01 -0.372539D+01 -0.213640D+02
               151           152           153           154           155 
      1   0.433682D+01  0.308606D+01 -0.637106D+01 -0.131062D+01  0.299478D+02
      2  -0.172684D+01  0.849737D+01 -0.490237D+01  0.126479D+01 -0.150938D+02
      3  -0.260998D+01 -0.115834D+02  0.112734D+02  0.458333D-01 -0.148540D+02
      4   0.611952D+01  0.492767D+01  0.128380D+01  0.303049D+02 -0.415387D+01
      5  -0.133243D+02  0.194766D+01 -0.366386D+01 -0.164353D+02  0.457572D+01
      6  -0.835810D-01 -0.153102D+02 -0.110988D+02 -0.910253D+00 -0.487974D+00
               156           157           158           159           160 
      1  -0.180783D+02  0.355095D+02 -0.794776D+01  0.799383D+01 -0.229256D+02
      2   0.581036D+01 -0.191594D+02  0.569740D+00 -0.431474D+01  0.535136D+01
      3   0.122679D+02 -0.163501D+02  0.737802D+01 -0.367909D+01  0.175742D+02
      4   0.481549D+01 -0.880346D+01 -0.267858D+02 -0.147512D+02  0.726455D+01
      5  -0.210047D+02  0.787808D+01 -0.139187D+02  0.592053D+01 -0.322701D+02
      6  -0.403293D+00 -0.930741D+00  0.972529D+00  0.119909D+01 -0.991636D-01
               161           162           163           164           165 
      1   0.712367D+01 -0.239161D+02  0.938944D+01  0.257686D+02 -0.813877D+01
      2  -0.375512D+01  0.198611D+02 -0.227740D+02 -0.124651D+02 -0.386046D+01
      3  -0.336855D+01  0.405501D+01  0.133846D+02 -0.133035D+02  0.119992D+02
      4  -0.153390D+02  0.473659D+01  0.219726D+02 -0.207197D+02  0.995974D+01
      5   0.502322D+01  0.328285D+02 -0.866183D+01  0.234233D+01 -0.914058D+01
      6   0.549540D+00  0.186383D+01  0.404956D+01 -0.678746D+01  0.819857D+01
               166           167           168           169           170 
      1   0.246538D+02 -0.914195D+01 -0.305495D+00 -0.108501D+02  0.150116D+01
      2  -0.121697D+02  0.773862D+01  0.987832D+01 -0.483519D+01  0.133859D+02
      3  -0.124841D+02  0.140334D+01 -0.957283D+01  0.156853D+02 -0.148871D+02
      4  -0.174617D+02 -0.624960D+01 -0.140758D+02  0.125523D+02 -0.171672D+02
      5   0.206639D+01 -0.115792D+02  0.230182D+01 -0.131131D+02  0.765862D+01
      6  -0.559770D+01  0.123343D+02 -0.129331D+00  0.112518D+02 -0.453640D+01
               171           172           173           174           175 
      1  -0.388149D+01 -0.557899D+01  0.775255D+01 -0.120753D+02  0.628898D+01
      2   0.113304D+02 -0.831842D+00 -0.379901D+01 -0.345976D+01 -0.371578D+01
      3  -0.744890D+01  0.641083D+01 -0.395354D+01  0.155350D+02 -0.257321D+01
      4   0.131613D+02 -0.718210D+01  0.556512D+01 -0.466382D+01  0.612621D+01
      5   0.252850D+02  0.182606D+02 -0.101426D+02  0.120646D+02 -0.107880D+02
      6  -0.193223D+02 -0.144675D+02  0.124902D+02 -0.114370D+02  0.101617D+02
               176           177           178           179           180 
      1  -0.107266D+02  0.862730D+01 -0.599277D+01  0.481502D+01 -0.880489D+01
      2   0.576690D+01 -0.107638D+01 -0.249382D+01  0.353710D-01 -0.300177D+01
      3   0.495967D+01 -0.755092D+01  0.848659D+01 -0.485039D+01  0.118067D+02
      4  -0.382897D+01  0.124546D+01 -0.253400D+01  0.114473D+01 -0.231900D+01
      5   0.547858D+01 -0.481812D+01  0.805962D+01 -0.371530D+01  0.761017D+01
      6  -0.136956D+02  0.144718D+02 -0.648711D+01  0.886545D+01 -0.838801D+01
               181           182           183           184           185 
      1   0.744801D+01 -0.532364D+00  0.460019D+01  0.719190D+00 -0.520732D+01
      2  -0.731314D+01  0.127358D+00  0.731783D+01  0.485524D-02  0.269439D+01
      3  -0.134868D+00  0.405006D+00 -0.119180D+02 -0.724045D+00  0.251293D+01
      4   0.136677D+02  0.109168D+02 -0.844510D+01  0.104576D+02  0.979175D+01
      5  -0.237298D+02 -0.135385D+02  0.192683D+02 -0.133245D+02 -0.104195D+02
      6  -0.134120D+02 -0.115392D+02  0.109323D+02 -0.921146D+01 -0.129170D+02
               186           187           188           189           190 
      1   0.543772D+01  0.195076D+01  0.267248D+01 -0.396029D+01 -0.223173D+01
      2   0.730049D+00  0.472752D+01  0.119510D+01 -0.563794D+01 -0.164855D+01
      3  -0.616776D+01 -0.667828D+01 -0.386758D+01  0.959823D+01  0.388028D+01
      4  -0.680985D+01 -0.460063D+01 -0.403941D+01  0.544762D+01 -0.155748D+00
      5   0.917914D+01  0.131408D+02  0.649831D+01 -0.123664D+02 -0.797944D+00
      6   0.137377D+02  0.662455D+01  0.887596D+01 -0.806458D+01  0.554467D+00
               191           192           193           194           195 
      1  -0.544163D+00 -0.236151D+01 -0.111804D+01 -0.897976D+01 -0.147585D+02
      2  -0.413325D+00  0.304519D+00 -0.279248D+00 -0.390143D+01 -0.115237D+02
      3   0.957488D+00  0.205699D+01  0.139728D+01  0.128812D+02  0.262822D+02
      4   0.293873D+01 -0.144079D+00  0.277331D+01 -0.576928D+01 -0.317608D+01
      5   0.136812D+01  0.691096D+01  0.382459D+01 -0.279898D+01 -0.473704D+01
      6   0.948314D+00  0.604814D+00  0.686706D+00  0.209337D+02  0.158640D+02
               196           197           198           199           200 
      1  -0.140415D+01 -0.735690D+01 -0.139055D+02  0.324618D+01  0.560046D+01
      2   0.249442D+00 -0.711639D+01 -0.129960D+02  0.386361D+00 -0.639770D+00
      3   0.115471D+01  0.144733D+02  0.269016D+02 -0.363254D+01 -0.496069D+01
      4  -0.299583D-01 -0.254378D+01 -0.305838D+01  0.656592D+01  0.103857D+02
      5   0.561201D+01 -0.268704D+01 -0.458674D+01  0.366430D+01  0.635326D+00
      6   0.235027D+00  0.127494D+02  0.124699D+02  0.628946D+00  0.632825D-01
               201           202           203           204           205 
      1   0.421409D+01  0.155575D+02  0.414423D+01 -0.170273D+01  0.846404D+01
      2  -0.163365D+01 -0.514584D+01  0.914785D+01  0.223172D+01 -0.332125D+01
      3  -0.258043D+01 -0.104117D+02 -0.132921D+02 -0.528998D+00 -0.514279D+01
      4   0.115181D+01  0.177505D+02  0.424096D+02  0.728914D+01  0.210047D+01
      5   0.312199D+01 -0.416658D+00  0.701259D+01  0.726891D+01  0.584197D+01
      6   0.382565D+00 -0.591948D+00 -0.280235D+00  0.357179D+01  0.520875D+00
               206           207           208           209           210 
      1  -0.258178D+00  0.176095D+01  0.636969D+02 -0.160631D+02  0.176482D+02
      2   0.116731D+01 -0.145565D+01 -0.316716D+02  0.736714D+01 -0.910086D+01
      3  -0.909133D+00 -0.305298D+00 -0.320253D+02  0.869595D+01 -0.854730D+01
      4   0.839077D+01  0.526901D+01 -0.171075D+02  0.119523D+02 -0.477561D+01
      5   0.541098D+01  0.917573D+00  0.188074D+02 -0.490201D+01  0.148636D+02
      6   0.322586D+01  0.135936D+01 -0.475467D+00  0.495754D+00 -0.332044D+00
               211           212           213           214           215 
      1  -0.313907D+02  0.123627D+02 -0.668998D+01  0.323689D+02 -0.666208D+01
      2   0.146158D+02 -0.345480D+01  0.334829D+01 -0.168071D+02  0.332531D+01
      3   0.167749D+02 -0.890787D+01  0.334169D+01 -0.155618D+02  0.333677D+01
      4   0.177850D+02 -0.116698D+02  0.734146D+01 -0.810773D+01  0.957554D+01
      5  -0.813833D+01  0.713833D+01 -0.871856D+01  0.223701D+02 -0.646228D+01
      6   0.137118D+01 -0.122771D+01  0.171729D+01 -0.127672D+01  0.189017D+01
               216           217           218           219           220 
      1   0.159316D+02  0.174558D+02 -0.201779D+01 -0.112742D+02 -0.546149D+01
      2  -0.109919D+02 -0.124109D+02  0.107112D+01  0.880673D+01  0.332083D+01
      3  -0.493975D+01 -0.504491D+01  0.946670D+00  0.246744D+01  0.214066D+01
      4  -0.599603D+01 -0.151880D+01  0.365215D+01 -0.141425D+01  0.659894D+01
      5   0.125412D+02 -0.150727D+02 -0.977425D+00  0.189275D+02  0.207362D+00
      6  -0.167220D+01 -0.682605D+00 -0.958535D+00  0.823709D+00 -0.215649D+01
               221           222           223           224           225 
      1   0.248205D+01 -0.260156D+00 -0.230721D+02 -0.177434D+01  0.131005D+02
      2  -0.159308D+01 -0.170100D+00  0.183052D+02  0.983418D+00 -0.219215D+02
      3  -0.888970D+00  0.430255D+00  0.476689D+01  0.790925D+00  0.882091D+01
      4   0.193685D+01 -0.523605D+01 -0.237461D+01 -0.708451D+01  0.886855D-01
      5  -0.479570D+01 -0.226196D+01  0.320204D+02 -0.100547D+00 -0.487205D+02
      6   0.174002D+00  0.414045D+01  0.908791D+00  0.422905D+01 -0.272479D+01
               226           227           228           229           230 
      1  -0.153306D+02 -0.183136D+02  0.163813D+00 -0.135315D+02 -0.179890D+02
      2   0.152966D+02  0.219604D+02  0.721057D+00  0.146481D+02  0.251301D+02
      3   0.339215D-01 -0.364680D+01 -0.884870D+00 -0.111654D+01 -0.714106D+01
      4   0.919394D+01  0.118808D+01 -0.274829D+01  0.613394D+01 -0.429951D+00
      5   0.525891D+01  0.972773D+00 -0.527245D+00  0.195921D+01  0.273396D+01
      6  -0.398958D+00  0.417152D+01  0.407999D+01  0.184320D+01  0.185593D+01
               231           232           233           234           235 
      1  -0.340211D+00  0.238971D+01  0.551533D+00 -0.364970D+01  0.366799D+01
      2  -0.947473D+00 -0.159754D+00 -0.349187D+01  0.186338D+01 -0.214728D+01
      3   0.128768D+01 -0.222995D+01  0.294034D+01  0.178632D+01 -0.152071D+01
      4   0.873575D+00 -0.255375D+01  0.327771D+01 -0.306746D+00 -0.746271D+01
      5  -0.888897D+00  0.113045D+01 -0.151762D+01 -0.168889D+01 -0.811765D+01
      6   0.383586D+01  0.193124D+01  0.415474D+01  0.139274D+01  0.430871D+01
               236           237           238           239           240 
      1  -0.295070D+01 -0.388952D+01 -0.487870D+00 -0.215374D+01 -0.327385D+01
      2   0.424755D+00  0.505916D+01 -0.822759D+00  0.117439D+01  0.356788D+01
      3   0.252595D+01 -0.116963D+01  0.131063D+01  0.979349D+00 -0.294027D+00
      4   0.750048D+01  0.518417D+01  0.427459D+01 -0.254275D+01 -0.389567D+01
      5   0.333431D+01  0.121022D+02  0.400833D+00 -0.376583D+01 -0.255650D+01
      6  -0.206966D+01 -0.669768D+01 -0.145614D+01  0.407199D+01  0.788903D+01
               241           242           243           244           245 
      1  -0.395702D+01 -0.532089D+01 -0.882838D+01  0.243042D+02 -0.121631D+02
      2   0.592709D+01  0.432925D+01 -0.120418D+02  0.103614D+01 -0.826265D+01
      3  -0.197007D+01  0.991642D+00  0.208701D+02 -0.253403D+02  0.204258D+02
      4   0.834844D+01 -0.104195D+02 -0.135788D+02 -0.355913D+02  0.324706D+02
      5   0.156847D+02 -0.109552D+02 -0.344644D+02  0.552496D+01 -0.311753D+01
      6  -0.965702D+01  0.145325D+02  0.296477D+02 -0.507809D+01  0.341339D+01
               246           247           248           249           250 
      1   0.601521D+01 -0.835494D+01  0.299338D+01 -0.667933D+00  0.100889D+02
      2   0.606256D+00 -0.719477D+01  0.164577D+02 -0.447211D+01  0.998585D+00
      3  -0.662146D+01  0.155497D+02 -0.194511D+02  0.514004D+01 -0.110875D+02
      4  -0.823415D+01  0.246771D+02 -0.281244D+02  0.808590D+01 -0.162339D+02
      5   0.800368D+01 -0.252597D+01  0.511932D+01 -0.388295D+01  0.924250D+01
      6  -0.713762D+01  0.353359D+01 -0.516198D+01  0.523429D+01 -0.779858D+01
               251           252           253           254           255 
      1  -0.219627D+01  0.363306D+01 -0.649014D+01  0.133384D+02 -0.213940D+01
      2  -0.888998D+01  0.143786D+00  0.311478D+01 -0.333975D+01  0.140974D+01
      3   0.110862D+02 -0.377684D+01  0.337536D+01 -0.999864D+01  0.729655D+00
      4   0.177303D+02 -0.108278D+02  0.170967D+02 -0.149375D+02 -0.710446D+00
      5  -0.741260D+01  0.531486D+01 -0.209635D+01 -0.557820D+00 -0.169642D+02
      6   0.786389D+01 -0.525140D+01  0.509992D+00 -0.274539D+00  0.222501D+01
               256           257           258           259           260 
      1  -0.418223D+01 -0.112689D+01 -0.239014D+01 -0.536879D+00 -0.819236D+00
      2  -0.537035D+00 -0.111031D+02  0.235229D+00  0.684155D-01  0.198027D+01
      3   0.471926D+01  0.122300D+02  0.215491D+01  0.468463D+00 -0.116104D+01
      4  -0.281895D+02 -0.437847D+02  0.233314D+01  0.215136D+01  0.402086D+01
      5   0.106012D+01  0.207125D+01 -0.121036D+02  0.622332D+01 -0.472136D+01
      6  -0.103320D+01  0.639899D+00 -0.876759D+01  0.107611D+01  0.426755D+01
               261           262           263           264           265 
      1  -0.204872D+01 -0.269536D+02 -0.365477D+02  0.363979D+01 -0.540900D+02
      2  -0.638142D+01  0.180224D+02  0.164777D+02 -0.229967D+01  0.260074D+02
      3   0.843014D+01  0.893119D+01  0.200700D+02 -0.134012D+01  0.280826D+02
      4  -0.451073D+01 -0.402684D+02  0.726261D+01  0.128504D+01 -0.739761D+01
      5   0.365272D+01  0.368330D+01  0.113705D+01  0.586366D+01  0.130703D+01
      6   0.201988D+01 -0.112824D+01 -0.459990D+00 -0.228593D+01 -0.127835D+00
               266           267           268           269           270 
      1  -0.490685D+01  0.217724D+01  0.577700D+01  0.218097D+01  0.456071D+01
      2   0.396849D+01 -0.365103D+01 -0.199338D+01 -0.424721D+01 -0.508849D+01
      3   0.938365D+00  0.147379D+01 -0.378363D+01  0.206624D+01  0.527779D+00
      4   0.209869D+02  0.335826D+01  0.175742D+01  0.431297D+01  0.367654D+02
      5   0.376898D+01  0.315869D+02 -0.915071D+01  0.388919D+02 -0.883912D+01
      6  -0.207617D+01 -0.109650D+02  0.576597D+01 -0.149079D+02  0.297996D+01
               271           272           273           274           275 
      1   0.162807D+02  0.112724D+02 -0.168256D+01  0.428039D+02 -0.111880D+02
      2  -0.555109D+01 -0.359579D+01  0.598948D+00 -0.134451D+02  0.329116D+02
      3  -0.107296D+02 -0.767665D+01  0.108361D+01 -0.293588D+02 -0.217236D+02
      4   0.178875D+02  0.208722D+02 -0.487445D+00  0.364183D+02  0.760272D+02
      5  -0.124244D+01 -0.444931D+00  0.104572D+02 -0.987247D-01 -0.299653D+01
      6  -0.347770D+00  0.125842D+00  0.505133D+00  0.109122D+01 -0.278187D+00
               276           277           278           279           280 
      1   0.209567D+01 -0.353886D+01  0.106082D+01  0.237490D+00  0.787506D+01
      2  -0.110637D+01  0.173345D+01 -0.150501D+01  0.781801D+00 -0.471258D+01
      3  -0.989304D+00  0.180541D+01  0.444193D+00 -0.101929D+01 -0.316248D+01
      4  -0.303837D+01 -0.144860D+01 -0.438166D+01  0.167563D+02 -0.183471D+01
      5   0.172589D+02  0.137242D+02  0.157422D+02 -0.445381D+01  0.703458D+01
      6   0.147211D+02  0.357460D+01  0.113257D+02 -0.209677D+01 -0.303644D+01
               281           282           283           284           285 
      1  -0.236512D+01  0.762832D+01 -0.825048D+01  0.708405D+00  0.177914D+01
      2   0.127831D+01 -0.354847D+01  0.285050D+01  0.427421D+01 -0.216940D+01
      3   0.108681D+01 -0.407985D+01  0.539998D+01 -0.498261D+01  0.390256D+00
      4   0.236149D+01 -0.326582D+01  0.148927D+02 -0.286212D+02  0.155058D+02
      5  -0.270584D+01  0.443276D+01 -0.661834D+01  0.159687D+02 -0.214509D+02
      6   0.203805D+00 -0.189702D+00  0.322273D+01 -0.926298D+01  0.108858D+02
               286           287           288           289           290 
      1   0.185488D+02 -0.546175D+00 -0.196628D+01  0.990531D+02  0.198914D+02
      2  -0.105308D+02 -0.352681D+00 -0.502887D+01 -0.526104D+02 -0.114007D+02
      3  -0.801805D+01  0.898856D+00  0.699515D+01 -0.464427D+02 -0.849072D+01
      4  -0.128087D+02  0.214457D+02 -0.235547D+02  0.147195D+02  0.141299D+02
      5   0.177054D+02 -0.250623D+02  0.409382D+02 -0.158582D+01 -0.327659D+00
      6  -0.550249D+01  0.126199D+02 -0.147780D+02  0.853176D+00  0.333602D+00
               291           292           293           294           295 
      1  -0.245905D+01  0.420713D+02  0.155449D+02 -0.847026D+00 -0.528410D+01
      2   0.123552D+01 -0.223382D+02 -0.750278D+01  0.656755D+00  0.277296D+01
      3   0.122353D+01 -0.197332D+02 -0.804217D+01  0.190271D+00  0.251114D+01
      4  -0.369787D+00  0.173302D+02  0.134896D+02 -0.100136D+01 -0.421786D+00
      5   0.127600D+02 -0.462786D+00 -0.923783D+00  0.397757D+01  0.142654D+02
      6  -0.745782D+00  0.413625D+00  0.428033D+00  0.190715D+01 -0.217078D+00
               296           297           298           299           300 
      1  -0.800025D+00  0.978075D+01  0.657523D+01 -0.325408D+01 -0.693896D+01
      2   0.810213D+00 -0.592709D+01 -0.295752D+01  0.187509D+01  0.318408D+01
      3  -0.101872D-01 -0.385366D+01 -0.361771D+01  0.137898D+01  0.375489D+01
      4  -0.147549D+01 -0.381580D+00 -0.202077D+01  0.187604D+01  0.245347D+01
      5  -0.173542D-01 -0.735610D+00 -0.597320D+01  0.176372D+01  0.222376D+01
      6   0.270541D+01 -0.180158D+00  0.309037D+01  0.276076D+00  0.311777D+00
               301           302           303           304           305 
      1  -0.104273D+02 -0.530951D+00 -0.309523D+01 -0.170675D+02 -0.680876D+00
      2   0.307823D+01  0.904755D+01  0.507346D+01  0.821883D+01  0.385654D+01
      3   0.734912D+01 -0.851660D+01 -0.197824D+01  0.884871D+01 -0.317567D+01
      4   0.166912D+02 -0.367545D+02 -0.167688D+02  0.115548D+02 -0.235571D+02
      5   0.513229D+01 -0.176968D+02 -0.213127D+02  0.132625D+02 -0.242361D+02
      6  -0.295294D+01  0.103284D+02  0.103332D+02 -0.469418D+01  0.122541D+02
               306 
      1  -0.236886D+01
      2  -0.460461D+00
      3   0.282932D+01
      4  -0.226498D+02
      5  -0.291621D+02
      6   0.118759D+02
 Leave Link  716 at Fri Jul 16 14:55:52 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.164328D+03 -0.218353D+01 -0.748957D+00
      2  -0.218353D+01  0.137947D+03 -0.399449D+00
      3  -0.748957D+00 -0.399449D+00  0.131963D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.287766D+00  0.867460D+00  0.785098D+01
      2  -0.321431D+00 -0.444848D+01 -0.485663D+02
      3  -0.409353D+01  0.221233D+02  0.357928D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.497539D+01  0.360474D+01 -0.470828D+00
      2   0.742398D+01  0.574669D+01 -0.116582D+02
      3  -0.244859D+01 -0.935143D+01  0.121290D+02
      4  -0.107198D+02 -0.494984D+02 -0.134432D+02
      5   0.733730D+01 -0.124843D+02 -0.101192D+03
      6  -0.544145D+01  0.141575D+01 -0.327393D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.281512D+01  0.302975D+01  0.341445D+01  0.237723D+01  0.757971D+00
      2   0.302975D+01  0.862414D+00  0.235430D+00  0.757971D+00 -0.304002D+01
      3   0.341445D+01  0.235430D+00 -0.356408D+01  0.668831D+00  0.725136D-01
                 6             7             8             9            10 
      1   0.668831D+00  0.190575D+01  0.497371D+00 -0.307661D+01 -0.261154D+01
      2   0.725136D-01  0.497371D+00  0.631004D-01  0.280885D+01  0.414513D+01
      3   0.250498D+01 -0.307661D+01  0.280885D+01  0.533991D+00 -0.131731D+01
                11            12            13            14            15 
      1   0.414513D+01 -0.131731D+01  0.353196D+01  0.597010D-01 -0.142618D+01
      2  -0.653051D-01 -0.146144D+01  0.597010D-01  0.434980D+00 -0.312226D+01
      3  -0.146144D+01  0.200446D+01 -0.142618D+01 -0.312226D+01 -0.283853D+01
                16            17            18            19            20 
      1  -0.768842D+00 -0.168362D+01  0.138303D+01 -0.991675D+00 -0.358303D+01
      2  -0.168362D+01 -0.279692D+01 -0.150397D+01 -0.358303D+01  0.484121D+00
      3   0.138303D+01 -0.150397D+01  0.190039D+01  0.427722D+00 -0.126661D+01
                21            22            23            24            25 
      1   0.427722D+00 -0.404821D+01  0.476671D+00 -0.160531D+01 -0.502162D+00
      2  -0.126661D+01  0.476671D+00  0.354550D+01  0.221374D+01 -0.119813D+01
      3   0.477128D+01 -0.160531D+01  0.221374D+01 -0.244579D+01  0.599842D+01
                26            27            28            29            30 
      1  -0.119813D+01  0.599842D+01  0.667542D+00  0.183526D+01  0.154208D+01
      2   0.827030D+00 -0.351900D+01  0.183526D+01 -0.287981D+00  0.913398D-01
      3  -0.351900D+01 -0.116947D+01  0.154208D+01  0.913398D-01 -0.344855D+01
                31            32            33            34            35 
      1   0.276113D+01 -0.943860D+00 -0.176759D+00 -0.258380D+00  0.378823D+00
      2  -0.943860D+00 -0.503791D+01  0.121441D+01  0.378823D+00  0.445290D+00
      3  -0.176759D+00  0.121441D+01  0.232613D+01 -0.380732D+01  0.181494D+01
                36            37            38            39            40 
      1  -0.380732D+01 -0.532091D+01  0.138384D+01 -0.136485D+01  0.204062D+01
      2   0.181494D+01  0.138384D+01  0.706355D+00 -0.114399D+01 -0.194808D+00
      3  -0.337852D+00 -0.136485D+01 -0.114399D+01  0.310132D+01 -0.112466D+01
                41            42            43            44            45 
      1  -0.194808D+00 -0.112466D+01  0.864893D+00 -0.776246D+00  0.140635D+01
      2  -0.925287D+00 -0.236611D+01 -0.776246D+00 -0.158218D+01 -0.172574D+01
      3  -0.236611D+01 -0.277124D+01  0.140635D+01 -0.172574D+01  0.152582D+01
                46            47            48            49            50 
      1   0.249895D+01 -0.467558D+01  0.318464D+01 -0.648464D+01  0.111081D+01
      2  -0.467558D+01  0.130118D+01  0.520587D+00  0.111081D+01  0.364531D+00
      3   0.318464D+01  0.520587D+00  0.676836D+00  0.463786D+00  0.381341D+01
                51            52            53            54            55 
      1   0.463786D+00  0.371749D+01 -0.198184D+00  0.200209D-01 -0.572405D+01
      2   0.381341D+01 -0.198184D+00  0.446488D+01  0.176110D+01 -0.271090D+01
      3   0.134848D+01  0.200209D-01  0.176110D+01 -0.357721D+01 -0.272046D+01
                56            57            58            59            60 
      1  -0.271090D+01 -0.272046D+01 -0.216278D+01 -0.198388D+01 -0.112365D+01
      2  -0.255362D+01 -0.158396D+01 -0.198388D+01 -0.201642D+01 -0.124290D+01
      3  -0.158396D+01 -0.237111D+01 -0.112365D+01 -0.124290D+01 -0.143563D+01
                61            62            63            64            65 
      1  -0.162646D+01 -0.971656D+00 -0.148365D+01  0.196891D+01 -0.123963D+01
      2  -0.971656D+00 -0.911895D+00 -0.132165D+01 -0.123963D+01  0.141860D+01
      3  -0.148365D+01 -0.132165D+01 -0.195999D+01 -0.246572D+01  0.136915D+01
                66            67            68            69            70 
      1  -0.246572D+01 -0.658463D+00  0.664009D+00  0.375050D+00 -0.176164D+01
      2   0.136915D+01  0.664009D+00 -0.106690D+01 -0.145034D+01  0.623929D+00
      3   0.383297D+01  0.375050D+00 -0.145034D+01 -0.160885D+01  0.218943D+01
                71            72            73            74            75 
      1   0.623929D+00  0.218943D+01  0.550583D+01 -0.290238D+01  0.277359D+00
      2  -0.172224D+01 -0.235540D+01 -0.290238D+01  0.349253D+01  0.293765D+00
      3  -0.235540D+01 -0.630324D+01  0.277359D+00  0.293765D+00  0.857551D+00
                76            77            78            79            80 
      1  -0.212193D+01  0.215612D+01  0.216533D+00  0.141777D+00  0.206900D+00
      2   0.215612D+01 -0.325965D+01  0.232182D+00  0.206900D+00  0.258831D+00
      3   0.216533D+00  0.232182D+00 -0.337645D+00  0.645088D+00 -0.587652D+00
                81            82            83            84            85 
      1   0.645088D+00 -0.249436D+01 -0.234778D+01  0.889870D+00 -0.206730D+01
      2  -0.587652D+00 -0.234778D+01 -0.305216D+01  0.960182D+00 -0.215278D+01
      3  -0.147165D+00  0.889870D+00  0.960182D+00 -0.140918D+01  0.640100D+00
                86            87            88            89            90 
      1  -0.215278D+01  0.640100D+00  0.100306D+01  0.106547D+01 -0.104806D+01
      2  -0.512613D+01  0.165743D+01  0.106547D+01  0.236282D+01 -0.127909D+01
      3   0.165743D+01 -0.105589D+01 -0.104806D+01 -0.127909D+01  0.128149D+01
                91            92            93            94            95 
      1  -0.157878D+01  0.570579D+01 -0.223028D+01  0.687189D+01 -0.611953D+00
      2   0.570579D+01 -0.159960D+01  0.927046D+00 -0.611953D+00 -0.350052D+01
      3  -0.223028D+01  0.927046D+00 -0.475099D+01  0.111678D+01 -0.355437D+01
                96            97            98            99           100 
      1   0.111678D+01 -0.157719D+01  0.716318D+00 -0.417625D+01 -0.329224D+01
      2  -0.355437D+01  0.716318D+00 -0.296857D+01  0.106059D+01  0.183667D+01
      3   0.154375D+01 -0.417625D+01  0.106059D+01  0.470972D+01 -0.280427D+01
               101           102           103           104           105 
      1   0.183667D+01 -0.280427D+01  0.201281D+01 -0.144054D+01  0.134928D+01
      2  -0.137876D+01  0.133184D+01 -0.144054D+01  0.193499D+01 -0.233082D+01
      3   0.133184D+01 -0.341385D+01  0.134928D+01 -0.233082D+01  0.258960D+01
               106           107           108           109           110 
      1  -0.210285D+01  0.911152D+00 -0.307981D+01  0.333252D+00  0.920301D+00
      2   0.911152D+00 -0.176337D+01  0.225822D+01  0.920301D+00  0.445047D+00
      3  -0.307981D+01  0.225822D+01 -0.573123D+01 -0.259779D+00 -0.136468D+00
               111           112           113           114           115 
      1  -0.259779D+00  0.148889D+01  0.903574D+00 -0.241254D+00  0.155437D-01
      2  -0.136468D+00  0.903574D+00  0.788432D+01 -0.207522D+01 -0.147037D+00
      3   0.301170D+00 -0.241254D+00 -0.207522D+01  0.170797D+01  0.424917D+00
               116           117           118           119           120 
      1  -0.147037D+00  0.424917D+00  0.349642D+01 -0.508841D+00 -0.231860D+01
      2  -0.107963D+01  0.112862D+01 -0.508841D+00  0.545943D+00  0.113931D+00
      3   0.112862D+01 -0.828270D+00 -0.231860D+01  0.113931D+00  0.286261D+01
               121           122           123           124           125 
      1  -0.175280D+01  0.580662D+00  0.832103D+00 -0.279729D+01  0.387564D-01
      2   0.580662D+00 -0.682157D-01 -0.983545D+00  0.387564D-01 -0.924357D+00
      3   0.832103D+00 -0.983545D+00 -0.169023D+01  0.264400D+01 -0.438762D+00
               126           127           128           129           130 
      1   0.264400D+01  0.209331D+01  0.831376D+00  0.101330D+01  0.251281D+01
      2  -0.438762D+00  0.831376D+00  0.223413D+00  0.336954D+00  0.672106D-01
      3  -0.466824D+01  0.101330D+01  0.336954D+00  0.280132D+00  0.427088D+00
               131           132           133           134           135 
      1   0.672106D-01  0.427088D+00  0.140843D+01  0.430989D+00  0.165201D+00
      2   0.315382D+01  0.173967D+01  0.430989D+00  0.182606D+01  0.164648D+01
      3   0.173967D+01  0.213169D+01  0.165201D+00  0.164648D+01  0.239888D+01
               136           137           138           139           140 
      1  -0.743330D+00 -0.217281D+01  0.552667D+00 -0.536242D+01  0.282800D+00
      2  -0.217281D+01 -0.132452D+01 -0.159618D+00  0.282800D+00 -0.186387D+01
      3   0.552667D+00 -0.159618D+00 -0.170003D+01  0.662573D-01  0.606023D+00
               141           142           143           144           145 
      1   0.662573D-01  0.523026D+00 -0.177559D+00 -0.486409D+00 -0.229663D+00
      2   0.606023D+00 -0.177559D+00  0.162977D+00 -0.663311D+00  0.462391D+01
      3  -0.295930D+00 -0.486409D+00 -0.663311D+00  0.359442D+00 -0.347674D+01
               146           147           148           149           150 
      1   0.462391D+01 -0.347674D+01  0.472880D+01 -0.298256D+00 -0.217412D+00
      2  -0.291145D+00 -0.159131D+00 -0.298256D+00 -0.130756D+01 -0.427508D+01
      3  -0.159131D+00 -0.310956D+00 -0.217412D+00 -0.427508D+01 -0.164815D+01
               151           152           153           154           155 
      1  -0.300270D+01  0.152823D-01 -0.637172D-02  0.142997D+00 -0.394005D+01
      2   0.152823D-01 -0.334645D+01 -0.165853D+01 -0.394005D+01  0.533319D+00
      3  -0.637172D-02 -0.165853D+01  0.249801D+01  0.205220D+01 -0.708529D+00
               156           157           158           159           160 
      1   0.205220D+01 -0.471189D+01  0.112620D+01 -0.897838D+00  0.234154D+01
      2  -0.708529D+00  0.112620D+01  0.435462D+01  0.228655D+01 -0.849772D+00
      3   0.298593D+01 -0.897838D+00  0.228655D+01 -0.781287D+00  0.420524D+01
               161           162           163           164           165 
      1  -0.849772D+00  0.420524D+01 -0.213381D+00 -0.516220D+01  0.161982D+01
      2   0.235365D+01 -0.663726D+00 -0.516220D+01  0.377784D+00 -0.975762D+00
      3  -0.663726D+00 -0.466444D+01  0.161982D+01 -0.975762D+00  0.240254D+01
               166           167           168           169           170 
      1  -0.482694D+01 -0.608520D-01 -0.108144D+01  0.192996D+01 -0.114663D+01
      2  -0.608520D-01  0.211520D+01  0.275789D+01 -0.114663D+01  0.297617D+01
      3  -0.108144D+01  0.275789D+01 -0.401613D+00  0.300559D+01 -0.137350D+01
               171           172           173           174           175 
      1   0.300559D+01  0.458823D+01 -0.238614D+01  0.245806D+01 -0.248112D+01
      2  -0.137350D+01 -0.238614D+01  0.199359D+01 -0.144574D+01  0.171048D+01
      3  -0.537535D+01  0.245806D+01 -0.144574D+01  0.304220D+01 -0.115962D+01
               176           177           178           179           180 
      1   0.171048D+01 -0.115962D+01  0.127143D+01 -0.707830D+00  0.164489D+01
      2  -0.227186D+01  0.203467D+01 -0.707830D+00  0.104244D+01 -0.995094D+00
      3   0.203467D+01 -0.181713D+01  0.164489D+01 -0.995094D+00  0.171977D+01
               181           182           183           184           185 
      1  -0.418939D+01 -0.225113D+01  0.230679D+01 -0.234165D+01 -0.158232D+01
      2  -0.225113D+01 -0.187416D+01  0.137647D+01 -0.158232D+01 -0.216021D+01
      3   0.230679D+01  0.137647D+01 -0.300696D+01  0.110473D+01  0.193480D+01
               186           187           188           189           190 
      1   0.110473D+01  0.150333D+01  0.752332D+00 -0.165443D+01  0.178780D+00
      2   0.193480D+01  0.752332D+00  0.105879D+01 -0.961674D+00  0.212721D+00
      3  -0.189900D+01 -0.165443D+01 -0.961674D+00  0.188650D+01  0.106480D+01
               191           192           193           194           195 
      1   0.212721D+00  0.106480D+01  0.696652D+00  0.643498D-01  0.219496D+00
      2   0.123456D+00  0.143012D+00  0.643498D-01  0.394299D+01  0.271909D+01
      3   0.143012D+00  0.271284D+00  0.219496D+00  0.271909D+01  0.447063D+01
               196           197           198           199           200 
      1   0.773864D+00  0.513833D-01  0.706510D-01 -0.322194D+00 -0.967845D+00
      2   0.513833D-01  0.193505D+01  0.224406D+01 -0.967845D+00 -0.863476D+00
      3   0.706510D-01  0.224406D+01  0.391802D+01 -0.589457D+00 -0.130774D-01
               201           202           203           204           205 
      1  -0.589457D+00 -0.235345D+01 -0.171893D+01  0.838322D-01 -0.108762D+01
      2  -0.130774D-01 -0.171893D+01 -0.609251D+01 -0.110836D+01 -0.129996D+00
      3  -0.278696D+00  0.838322D-01 -0.110836D+01 -0.107094D+01 -0.566819D+00
               206           207           208           209           210 
      1  -0.129996D+00 -0.566819D+00 -0.720260D+01  0.194828D+01 -0.207160D+01
      2  -0.121049D+01 -0.864807D+00  0.194828D+01 -0.116570D+01  0.522979D+00
      3  -0.864807D+00 -0.232904D+00 -0.207160D+01  0.522979D+00 -0.152198D+01
               211           212           213           214           215 
      1   0.408076D+01 -0.185944D+01  0.906787D+00 -0.405705D+01  0.928550D+00
      2  -0.185944D+01  0.125603D+01 -0.897600D+00  0.928550D+00 -0.113347D+01
      3   0.906787D+00 -0.897600D+00  0.100158D+01 -0.243099D+01  0.732450D+00
               216           217           218           219           220 
      1  -0.243099D+01 -0.228198D+01  0.239578D+00  0.171755D+01  0.767554D+00
      2   0.732450D+00  0.239578D+00 -0.334096D+00  0.126803D+00 -0.706790D+00
      3  -0.132746D+01  0.171755D+01  0.126803D+00 -0.186166D+01 -0.525176D-01
               221           222           223           224           225 
      1  -0.706790D+00 -0.525176D-01  0.372387D+01  0.244559D+00 -0.356463D+01
      2  -0.284708D+00  0.664506D+00  0.244559D+00  0.851114D+00 -0.506997D-01
      3   0.664506D+00  0.285245D+00 -0.356463D+01 -0.506997D-01  0.656278D+01
               226           227           228           229           230 
      1   0.424289D+01  0.186356D+01 -0.516698D+00  0.201086D+01  0.184303D+01
      2   0.186356D+01  0.309615D+01  0.398168D+00  0.184303D+01  0.337429D+01
      3  -0.516698D+00  0.398168D+00  0.706709D+00  0.106069D+00 -0.165577D+00
               231           232           233           234           235 
      1   0.106069D+00 -0.616646D+00  0.183161D+00  0.368553D+00 -0.115259D+01
      2  -0.165577D+00  0.183161D+00 -0.643972D+00  0.607586D+00  0.100594D+01
      3   0.544643D+00  0.368553D+00  0.607586D+00  0.318718D+00  0.119552D+01
               236           237           238           239           240 
      1   0.100594D+01  0.119552D+01  0.367434D+00 -0.300385D+00 -0.489789D-01
      2  -0.621085D+00 -0.403398D+00 -0.300385D+00  0.351287D+00  0.862870D+00
      3  -0.403398D+00 -0.155852D+01 -0.489789D-01  0.862870D+00  0.511868D+00
               241           242           243           244           245 
      1   0.162581D+01 -0.849635D+00 -0.220796D+01 -0.486619D+01  0.371866D+01
      2  -0.849635D+00  0.214561D+01  0.222729D+01  0.371866D+01 -0.363031D+01
      3  -0.220796D+01  0.222729D+01  0.744994D+01 -0.118011D+01  0.752701D+00
               246           247           248           249           250 
      1  -0.118011D+01  0.265463D+01 -0.260165D+01  0.695402D+00 -0.229475D+01
      2   0.752701D+00 -0.260165D+01  0.377148D+01 -0.117296D+01  0.168620D+01
      3  -0.132024D+01  0.695402D+00 -0.117296D+01  0.672678D+00 -0.151993D+01
               251           252           253           254           255 
      1   0.168620D+01 -0.151993D+01  0.485583D+01  0.209169D+01 -0.393014D+00
      2  -0.262641D+01  0.131856D+01  0.209169D+01  0.952043D+00 -0.115016D+00
      3   0.131856D+01 -0.818011D+00 -0.393014D+00 -0.115016D+00  0.697039D+00
               256           257           258           259           260 
      1  -0.181863D+01 -0.206085D+01 -0.195967D+00 -0.149607D+00  0.202841D+00
      2  -0.206085D+01 -0.526570D+01  0.317548D+00  0.202841D+00  0.484002D+00
      3  -0.195967D+00  0.317548D+00 -0.591565D+00  0.887838D+00 -0.781403D+00
               261           262           263           264           265 
      1   0.887838D+00 -0.240463D+01 -0.431441D+01  0.362762D+00 -0.566508D+01
      2  -0.781403D+00 -0.431441D+01  0.146262D+00  0.197547D+00 -0.143611D+01
      3   0.449670D+00  0.362762D+00  0.197547D+00  0.357093D+00  0.187720D+00
               266           267           268           269           270 
      1  -0.143611D+01  0.187720D+00  0.670076D+00  0.245899D+00 -0.118534D+01
      2   0.318729D+01  0.406325D+00  0.245899D+00  0.560357D+00  0.465485D+01
      3   0.406325D+00  0.393263D+01 -0.118534D+01  0.465485D+01 -0.107718D+01
               271           272           273           274           275 
      1   0.128440D+01  0.220297D+01 -0.265052D+00  0.898365D+01  0.340563D+01
      2   0.220297D+01  0.119604D+01  0.209779D-01  0.340563D+01  0.104592D+02
      3  -0.265052D+00  0.209779D-01  0.140217D+00  0.155304D+00 -0.492326D+00
               276           277           278           279           280 
      1   0.155304D+00 -0.569666D+00 -0.138519D+00  0.117821D+01  0.990845D+00
      2  -0.492326D+00 -0.138519D+00 -0.639729D+00  0.242436D+01 -0.112577D+00
      3   0.189675D+01  0.117821D+01  0.242436D+01 -0.641716D+00  0.845983D+00
               281           282           283           284           285 
      1  -0.112577D+00  0.845983D+00 -0.154771D+01  0.149435D+01 -0.618065D+00
      2  -0.354640D-01 -0.105745D+00  0.149435D+01 -0.356500D+01  0.191534D+01
      3  -0.105745D+00  0.155336D+00 -0.618065D+00  0.191534D+01 -0.255426D+01
               286           287           288           289           290 
      1   0.268707D+01 -0.118976D+01  0.161910D+01  0.916486D+01  0.185875D+01
      2  -0.118976D+01  0.263277D+01 -0.296078D+01  0.185875D+01  0.135597D+01
      3   0.161910D+01 -0.296078D+01  0.492169D+01 -0.225806D+00 -0.536289D-01
               291           292           293           294           295 
      1  -0.225806D+00  0.435014D+01  0.161919D+01 -0.669403D-01 -0.536215D+00
      2  -0.536289D-01  0.161919D+01  0.133411D+01 -0.118359D+00 -0.536031D-01
      3   0.107844D+01 -0.669403D-01 -0.118359D+00  0.319001D+00  0.123382D+01
               296           297           298           299           300 
      1  -0.536031D-01  0.123382D+01  0.791351D+00 -0.178857D+00 -0.725836D+00
      2  -0.172895D+00 -0.114695D+00 -0.178857D+00 -0.176833D+00  0.132329D-01
      3  -0.114695D+00 -0.542127D-01 -0.725836D+00  0.132329D-01 -0.831551D-02
               301           302           303           304           305 
      1  -0.183279D+01  0.163064D+01  0.421443D+00 -0.239785D+01  0.103827D+01
      2   0.163064D+01 -0.461212D+01 -0.209314D+01  0.103827D+01 -0.292835D+01
      3   0.421443D+00 -0.209314D+01 -0.254394D+01  0.120421D+01 -0.286847D+01
               306 
      1   0.120421D+01
      2  -0.286847D+01
      3  -0.352089D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.303565D+01 -0.128820D+01 -0.644990D+01 -0.162734D+01  0.970889D+01
      2   0.240453D+01  0.784961D+01  0.167686D+02  0.594129D+01  0.167763D+01
      3  -0.294236D+00 -0.620573D+01 -0.568010D+01 -0.165864D+01 -0.760953D+01
                 6             7             8             9            10 
      1   0.283575D+01 -0.591463D+01  0.777757D+01 -0.828353D+01 -0.927289D+00
      2  -0.173690D+01  0.789461D+01 -0.344856D+01 -0.932381D+01  0.165080D+01
      3   0.158859D+00 -0.279722D+01 -0.649310D+00  0.929948D+01  0.847084D+01
                11            12            13            14            15 
      1  -0.484308D+01  0.535193D+01 -0.493665D+01 -0.793594D+01 -0.991679D+01
      2  -0.690693D+00  0.267190D+01 -0.229379D+00  0.192316D+01  0.223023D+01
      3  -0.134837D+02  0.123036D+01 -0.820581D+01  0.304584D+00  0.290580D+01
                16            17            18            19            20 
      1   0.372547D+01 -0.239873D+01  0.673287D+01  0.660805D+01  0.258630D+00
      2  -0.196820D+01  0.131809D+01 -0.388344D+00 -0.613370D+01 -0.348842D+01
      3  -0.292764D-01  0.234179D+01 -0.526258D+01 -0.769186D+01 -0.420649D+01
                21            22            23            24            25 
      1   0.532668D+00  0.176612D+01 -0.938499D+01 -0.537158D+01 -0.128509D+00
      2  -0.422909D+01 -0.406130D+01 -0.282611D+01  0.150993D+01 -0.136596D+02
      3  -0.284525D+01  0.238870D+01  0.609006D+01  0.163490D+01 -0.214509D+01
                26            27            28            29            30 
      1   0.136871D+01  0.675931D+01 -0.787521D+01  0.965768D-01  0.435715D+01
      2   0.332228D+01  0.122904D+02  0.393309D+01  0.367144D+01  0.477351D+01
      3   0.935941D+00 -0.306715D+01  0.278010D+01  0.180302D+01  0.445975D+01
                31            32            33            34            35 
      1  -0.526489D+00  0.100694D+02 -0.802491D+01  0.595423D+01 -0.108121D+01
      2   0.706339D+01 -0.140293D+01 -0.536455D+00 -0.920717D+00 -0.183231D+00
      3   0.835788D+01  0.293259D+01 -0.144021D+01  0.426633D+01 -0.667565D+00
                36            37            38            39            40 
      1  -0.155575D+01  0.493107D+00  0.970617D+00 -0.189804D+01 -0.113978D+01
      2  -0.686054D+01  0.499125D+01 -0.228421D+01  0.137399D+01 -0.415986D+01
      3  -0.392047D+01 -0.285721D+01  0.379965D+01  0.761351D+00  0.663180D+01
                41            42            43            44            45 
      1   0.116236D+01 -0.214314D+01 -0.503912D+01  0.143924D+01 -0.425854D+01
      2  -0.150864D+01 -0.203268D+01 -0.454059D+01 -0.219984D+01  0.175338D+01
      3   0.110643D+01  0.140705D+01 -0.101800D+01 -0.106009D+00  0.116056D+01
                46            47            48            49            50 
      1  -0.261131D+01  0.639912D+00 -0.384375D+00  0.209627D+01  0.395894D+01
      2  -0.228088D+01  0.421499D+01  0.764600D-01  0.399307D+01 -0.346611D+01
      3  -0.300359D+01  0.818462D+00 -0.186991D+01  0.814899D+01 -0.170257D+01
                51            52            53            54            55 
      1   0.188493D+01  0.279323D+00  0.989359D+01  0.958369D+00  0.245762D+01
      2   0.902669D-01 -0.941767D+01 -0.258315D+00  0.178638D+01 -0.102578D+02
      3   0.182896D+01 -0.215115D+01  0.402080D+01  0.134212D+01  0.686097D+01
                56            57            58            59            60 
      1   0.448100D+01 -0.158729D+01  0.289095D+01  0.229063D+01 -0.119487D+01
      2  -0.308553D+01  0.241748D-01 -0.365565D+01 -0.268264D+01  0.299753D+00
      3  -0.182757D+01  0.145180D+01  0.213280D+01 -0.715132D+00 -0.903642D-01
                61            62            63            64            65 
      1  -0.400902D+00  0.118351D+01  0.295520D+00 -0.855218D+00 -0.270002D+01
      2  -0.223503D+01 -0.740249D-01  0.555287D+00  0.929134D+01 -0.435538D+01
      3   0.125980D+01 -0.486398D+00  0.140541D+00 -0.606507D+01  0.204063D+01
                66            67            68            69            70 
      1   0.410448D+01 -0.696471D+00 -0.145750D+00 -0.104661D+01  0.239818D+01
      2  -0.914453D+01 -0.237601D+01  0.362277D+01  0.278407D+01 -0.921110D+01
      3   0.564448D+01  0.314793D+01 -0.198368D+01 -0.303878D+01  0.449073D+01
                71            72            73            74            75 
      1   0.288280D+01 -0.479490D+01  0.126531D+01  0.441318D+00  0.363856D+01
      2   0.430846D+01  0.125106D+02  0.506265D+00 -0.187447D+00  0.105146D+01
      3  -0.250058D+01 -0.701625D+01 -0.189080D+02  0.705322D+01 -0.832841D+00
                76            77            78            79            80 
      1  -0.141859D+00  0.116486D+01 -0.200047D+01  0.139042D+01  0.231440D+00
      2  -0.418707D+00  0.186049D+00 -0.982415D+00 -0.179036D+01  0.284258D+00
      3   0.822442D+01 -0.661344D+01 -0.291628D+00 -0.347888D-01 -0.616275D+00
                81            82            83            84            85 
      1  -0.399535D+00  0.200562D+01  0.207033D+01 -0.496361D+01  0.187417D+01
      2  -0.217056D+00 -0.179242D+00 -0.509511D+00  0.222377D+01  0.151658D+00
      3  -0.176231D+01  0.650342D+01  0.114171D+01 -0.175486D+01  0.469773D+01
                86            87            88            89            90 
      1   0.381766D+01 -0.452252D+01 -0.235604D+01 -0.105694D+01  0.435221D+01
      2  -0.821640D+00  0.177122D+01 -0.536993D+00  0.107783D+01 -0.125551D+01
      3  -0.613438D-01 -0.656877D+00 -0.262414D+01  0.117350D-02  0.138133D+01
                91            92            93            94            95 
      1   0.225518D+01 -0.332538D+00  0.168048D+01  0.142521D+00  0.103015D+01
      2   0.329064D+01 -0.252278D+01  0.135850D+02 -0.335154D+01  0.719963D+01
      3   0.147067D+02 -0.371975D+01  0.785397D+00  0.829330D+01 -0.986571D+01
                96            97            98            99           100 
      1  -0.513398D+01  0.164162D+01  0.220423D+01 -0.445064D+01 -0.220555D+01
      2  -0.206217D+01  0.524331D+01 -0.164307D+01 -0.124463D+02 -0.263727D+01
      3  -0.731029D+01  0.123195D+01 -0.632913D+01 -0.375683D+00  0.679359D+00
               101           102           103           104           105 
      1   0.319553D+01  0.103267D+00  0.176138D+01 -0.320786D+01  0.114847D+01
      2   0.123417D+01  0.272071D+01  0.252603D+01  0.116310D+01 -0.251267D+01
      3  -0.296330D+01  0.799233D+00  0.267954D+00  0.283659D+01 -0.306798D+01
               106           107           108           109           110 
      1  -0.466965D+00  0.498122D+01 -0.912123D+00 -0.170288D+01 -0.656516D+00
      2  -0.186183D+01 -0.143576D+01  0.407983D+01 -0.275253D+00  0.140520D+01
      3  -0.522140D+00 -0.317533D+01  0.208876D+01  0.461874D+00  0.490274D+00
               111           112           113           114           115 
      1  -0.314730D+00 -0.103088D+01 -0.127183D+02 -0.140415D+01 -0.702915D-02
      2   0.234509D-01  0.294207D+01  0.268781D+01  0.418544D+00 -0.163037D+01
      3  -0.227103D+00  0.564441D+01 -0.149823D+01 -0.296243D+00 -0.426775D+00
               116           117           118           119           120 
      1   0.866162D+00 -0.105906D+01  0.398988D+01 -0.222355D+01 -0.339645D+01
      2  -0.953737D-01  0.121083D+01  0.761433D+01 -0.890002D+00 -0.110399D+01
      3  -0.435673D+00  0.369918D+00  0.419275D+01 -0.241977D+01 -0.344818D+01
               121           122           123           124           125 
      1  -0.176882D+01  0.192341D+01  0.287536D+01 -0.266836D+01  0.441118D+01
      2  -0.447098D+01  0.984694D+00  0.160507D+00 -0.614950D+01 -0.294687D+00
      3  -0.875358D+00  0.166079D+01  0.135947D+01 -0.342069D+01  0.166560D+01
               126           127           128           129           130 
      1   0.582644D+01  0.859165D+00 -0.610777D-01 -0.730529D+00  0.327985D+00
      2   0.298194D+01 -0.160313D-01  0.917419D-01  0.465270D+00 -0.150946D+01
      3   0.371777D+01  0.108261D+01  0.707688D+00  0.449028D+00  0.648856D+01
               131           132           133           134           135 
      1   0.627735D+00 -0.231046D+01  0.853673D+00  0.107239D+01 -0.189523D+01
      2   0.191144D+01  0.196580D+01 -0.358563D+01  0.988266D+00  0.255327D+01
      3  -0.229237D+01 -0.111363D+01  0.212993D+01 -0.109021D+01 -0.242271D+00
               136           137           138           139           140 
      1  -0.165642D+00  0.969817D-01 -0.482913D+00  0.506745D-01 -0.161962D+01
      2  -0.778875D+00 -0.882522D+00  0.720064D+01  0.219531D+01  0.618656D+00
      3   0.150254D+02 -0.818344D+01  0.164499D+01  0.126038D+02  0.492798D+01
               141           142           143           144           145 
      1  -0.341144D+01  0.665269D+00  0.117479D+01  0.350312D+00  0.100200D+02
      2  -0.117144D+01 -0.787396D+01 -0.258574D+01  0.616030D+00  0.230087D+01
      3  -0.755648D+00 -0.160884D+00  0.349291D+00  0.208587D+01  0.306790D+01
               146           147           148           149           150 
      1  -0.421799D+00 -0.777388D-01 -0.692146D+00 -0.794566D+01 -0.185168D+02
      2  -0.131985D+02  0.152548D+02 -0.125246D+02  0.281480D+01  0.599615D+00
      3  -0.636796D+01  0.377633D+01 -0.256112D+01 -0.195542D+00 -0.187506D+01
               151           152           153           154           155 
      1  -0.485017D+00 -0.100627D+02 -0.341403D+01 -0.109664D+01  0.567753D-01
      2   0.650629D+01  0.127119D+01 -0.174049D+01 -0.813416D+01  0.391913D+01
      3   0.234130D+01 -0.215783D+01 -0.967200D+00 -0.154925D+02  0.160210D+01
               156           157           158           159           160 
      1   0.588844D+00  0.747780D+00  0.300035D+01 -0.871953D+00  0.139499D+01
      2  -0.108270D+02  0.502045D+01 -0.985188D+01  0.269423D+01 -0.217739D+02
      3  -0.289386D+01  0.943476D+01  0.201158D+02  0.923098D+01 -0.366582D+01
               161           162           163           164           165 
      1   0.297945D+01 -0.102411D+01 -0.846231D+01  0.217908D+01 -0.615922D+01
      2   0.199780D+01  0.182030D+02 -0.313533D+01  0.722458D+01 -0.449852D+01
      3   0.950094D+01 -0.253223D+01 -0.139052D+02 -0.163662D+02  0.106306D+01
               166           167           168           169           170 
      1   0.216302D+01 -0.628804D+01  0.136335D+01 -0.852601D+01  0.961045D+01
      2   0.642896D+01 -0.569133D+01  0.157253D+01 -0.105466D+02  0.431384D+01
      3  -0.111772D+02  0.304974D+01  0.386049D+01  0.184666D+01  0.407638D+01
               171           172           173           174           175 
      1   0.141676D+02 -0.492816D+01  0.529693D+01 -0.155466D+00  0.376002D+01
      2   0.113142D+02 -0.157772D+02  0.723512D+01 -0.601381D+01  0.840616D+01
      3   0.300477D+01 -0.713493D+01  0.158524D+01 -0.282957D+01  0.488598D+01
               176           177           178           179           180 
      1  -0.455237D+01  0.192611D+01 -0.841696D+00  0.329155D+01 -0.101176D+01
      2  -0.581585D+01  0.334368D+01 -0.596950D+01  0.302555D+01 -0.477358D+01
      3  -0.203438D+01  0.212389D+01 -0.174104D+01  0.696424D+00 -0.216335D+01
               181           182           183           184           185 
      1  -0.436716D+01 -0.524345D+01 -0.551168D-01 -0.350501D+01 -0.416021D+01
      2   0.119787D+02  0.490015D+01 -0.130594D+01  0.643596D+01  0.274782D+01
      3   0.346835D+01 -0.119095D+01 -0.596712D+00  0.224915D+01 -0.102007D+01
               186           187           188           189           190 
      1   0.168005D+01  0.899577D+00  0.340033D+01 -0.117328D+01  0.136874D+01
      2  -0.715448D+00 -0.407897D+01 -0.154692D+01  0.230801D+01 -0.883005D+00
      3   0.492978D+00 -0.794381D+00  0.702432D+00  0.665698D+00  0.191154D+00
               191           192           193           194           195 
      1  -0.551665D-01  0.575633D+00 -0.186256D+00  0.161050D+02  0.856198D+01
      2  -0.774690D+00 -0.184182D+01 -0.379242D+01 -0.134369D+01 -0.292179D+01
      3  -0.490809D+00 -0.598221D+00  0.171843D+01  0.189816D+01  0.154717D+01
               196           197           198           199           200 
      1   0.171094D+00  0.928552D+01  0.848775D+01 -0.707881D+00 -0.615780D-02
      2  -0.362875D+01 -0.149293D+01 -0.277116D+01  0.212974D+01  0.382339D+00
      3   0.188638D+00  0.123738D+01  0.123037D+01 -0.400682D+01 -0.256317D+01
               201           202           203           204           205 
      1  -0.295189D+00  0.640378D-02 -0.299670D+01 -0.363304D+01  0.520706D-01
      2   0.133725D+01 -0.231724D+00  0.520116D+01  0.536725D+01  0.616761D+00
      3   0.452617D+00 -0.925337D+00 -0.262261D+02 -0.557751D+01  0.768013D+00
               206           207           208           209           210 
      1  -0.391753D+00 -0.965381D+00  0.930558D-01  0.520141D+00  0.295473D+00
      2   0.380584D+01  0.180814D+01  0.926842D+01 -0.283485D+01  0.884193D+01
      3  -0.578087D+01 -0.350234D+01  0.828689D+01 -0.751974D+01  0.289115D+01
               211           212           213           214           215 
      1  -0.295689D+00 -0.477507D+00 -0.103079D+01 -0.114185D+00  0.111454D+01
      2  -0.408782D+01  0.395506D+01 -0.520185D+01  0.832062D+01 -0.301133D+01
      3  -0.546895D+01  0.574565D+01 -0.355752D+01  0.368004D+01 -0.587687D+01
               216           217           218           219           220 
      1   0.386863D+00  0.483220D+00 -0.753048D+00 -0.757069D+00 -0.114322D+00
      2   0.656564D+01 -0.544214D+01 -0.433656D+00  0.756070D+01 -0.181972D+00
      3   0.309953D+01  0.121336D+01 -0.230750D+01 -0.136499D+00 -0.135619D+01
               221           222           223           224           225 
      1   0.382454D-01 -0.541587D+00 -0.568147D+00  0.303941D+01  0.180064D+01
      2  -0.204764D+01 -0.822214D+00  0.854459D+01  0.135557D+00 -0.260999D+02
      3  -0.112444D+01  0.197950D+01  0.412832D+00  0.466753D+01  0.755153D-01
               226           227           228           229           230 
      1   0.358990D+01  0.139907D+01 -0.340052D+01  0.168535D+01  0.267339D+01
      2  -0.330144D+01 -0.214961D+01  0.548933D+00 -0.189479D+01 -0.114713D+01
      3   0.197226D+02  0.953326D+01 -0.148280D+01  0.114504D+02  0.106560D+02
               231           232           233           234           235 
      1  -0.284064D+01 -0.174476D+01 -0.756225D+00  0.214757D+00 -0.196060D+01
      2  -0.169986D+00 -0.114641D+01 -0.108242D+01 -0.851456D+00 -0.149786D+01
      3  -0.436482D+00 -0.206843D+01 -0.939464D+00  0.247511D+01  0.141579D+00
               236           237           238           239           240 
      1   0.911667D-01  0.345196D+01  0.381848D+00 -0.194580D+01 -0.132311D+01
      2   0.400339D+00  0.341354D+01 -0.237903D+00 -0.188206D+01 -0.654686D+00
      3  -0.306642D+00  0.138122D+01  0.116857D+01  0.765970D-02  0.136234D+01
               241           242           243           244           245 
      1   0.428275D+01  0.169978D+00 -0.179194D+02  0.553502D+01 -0.367921D+01
      2   0.654613D+00 -0.406089D+01 -0.159601D+02  0.502529D+01 -0.387897D+01
      3   0.258926D+01  0.397473D+01  0.406878D+00 -0.354851D+01 -0.233084D+01
               246           247           248           249           250 
      1   0.522459D+01 -0.357765D+01  0.487212D+01 -0.415995D+01  0.438051D+01
      2   0.557796D+01 -0.311948D+01  0.423776D+01 -0.292322D+01  0.357433D+01
      3  -0.136504D+01  0.267876D+01  0.314118D+01 -0.692286D+00 -0.240963D+01
               251           252           253           254           255 
      1  -0.321329D+01  0.338304D+01 -0.371784D+00 -0.166618D+00 -0.126012D+01
      2  -0.376770D+01  0.335344D+01 -0.287967D+01 -0.109510D+01 -0.107584D+02
      3  -0.322245D+01 -0.337522D+00 -0.124910D+02  0.735154D+00  0.699266D+00
               256           257           258           259           260 
      1   0.580832D+00  0.153955D+01  0.729664D+01  0.914113D+00  0.982836D+01
      2  -0.225007D+01  0.201248D+01 -0.791660D+01 -0.196478D+02 -0.104306D+01
      3   0.869222D+00  0.226602D+02 -0.176023D+01  0.231498D+01 -0.244962D+01
               261           262           263           264           265 
      1  -0.179598D+01 -0.126308D+00  0.395224D+00  0.164930D+01  0.860743D-02
      2   0.185214D+01  0.175819D+01  0.157668D+01  0.576155D+01  0.196623D+01
      3   0.250847D+01  0.214531D+02 -0.938341D+00 -0.122140D+01  0.153971D+02
               266           267           268           269           270 
      1   0.867520D+00  0.197628D+01 -0.356569D+01  0.761960D+01 -0.632836D+00
      2   0.194339D+01  0.171686D+02 -0.915004D+01  0.225981D+02 -0.500505D+01
      3  -0.132075D+02 -0.193682D+01 -0.147178D+01 -0.288860D+01 -0.206929D+02
               271           272           273           274           275 
      1   0.605746D+00  0.384678D+00  0.798872D+00  0.876788D-01 -0.348748D-01
      2  -0.101890D+01  0.175792D-01  0.657406D+01  0.616520D+00 -0.240914D+01
      3  -0.791855D+01 -0.684798D+01 -0.460446D+00  0.335533D+01 -0.378438D+02
               276           277           278           279           280 
      1  -0.976207D+01 -0.287220D+00  0.294420D+00  0.114659D+01  0.458678D+00
      2   0.112069D+02  0.489710D+01  0.765516D+01 -0.311095D+01  0.339085D+01
      3   0.203361D+01 -0.100838D+01  0.265644D+01 -0.763173D+01  0.981255D-01
               281           282           283           284           285 
      1  -0.148216D+00 -0.617229D-01 -0.694337D+00  0.103902D+01 -0.345796D+01
      2  -0.351640D+00  0.753487D+00 -0.222373D+01  0.865841D+01 -0.113580D+02
      3  -0.525211D+00 -0.404574D+00 -0.373487D+01  0.142799D+02 -0.793720D+01
               286           287           288           289           290 
      1   0.119255D+01 -0.941295D+00  0.482984D+01 -0.108392D+00  0.336899D-02
      2   0.496498D+01 -0.131955D+02  0.217598D+02 -0.201757D+01 -0.524910D+00
      3   0.207164D+01 -0.109172D+02  0.123073D+02 -0.146047D+02 -0.980368D+01
               291           292           293           294           295 
      1   0.297786D+00  0.687086D-01 -0.397255D-01 -0.822538D+00  0.753467D+00
      2   0.679879D+01 -0.709802D+00 -0.694963D+00  0.194976D+01  0.402983D+01
      3   0.500839D+00 -0.827954D+01 -0.748121D+01  0.579027D+00  0.578422D+00
               296           297           298           299           300 
      1   0.461058D+00 -0.263212D-01 -0.580274D+00  0.132175D-02 -0.220998D+00
      2  -0.596093D+00 -0.429292D+00 -0.326137D+01 -0.185352D+00  0.322413D+00
      3   0.913391D+00  0.750719D-02  0.603997D+00  0.281898D+00  0.856257D+00
               301           302           303           304           305 
      1   0.906678D+00 -0.223519D+01 -0.408873D+01  0.107611D+01 -0.170283D+01
      2   0.180005D+01 -0.995407D+01 -0.114144D+02  0.391316D+01 -0.129990D+02
      3  -0.382976D+01  0.189738D+02  0.895994D+01 -0.168089D+01  0.125491D+02
               306 
      1  -0.431943D+01
      2  -0.158990D+02
      3   0.121065D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.187670D+01 -0.107998D+02 -0.192414D+02 -0.785006D+01 -0.101048D+02
      2   0.765560D+01  0.407196D+01 -0.404341D+01  0.385019D+01  0.106430D+02
      3  -0.577891D+01  0.672781D+01  0.232848D+02  0.399988D+01 -0.538265D+00
      4  -0.162057D+02 -0.981967D+01 -0.129139D+02 -0.890906D+01  0.524267D+01
      5  -0.171515D+02 -0.150155D+02 -0.970620D+01 -0.120001D+02 -0.134020D+01
      6  -0.218495D+02 -0.719538D+01  0.478408D+01 -0.517234D+01  0.733740D+01
                 6             7             8             9            10 
      1   0.175783D+01 -0.135129D+02  0.263464D+01  0.142722D+02  0.981006D+01
      2   0.766530D+01 -0.344815D+01  0.667590D+01 -0.629877D+01 -0.209669D+02
      3  -0.942313D+01  0.169610D+02 -0.931054D+01 -0.797344D+01  0.111569D+02
      4  -0.987656D+00 -0.749880D+01 -0.847608D-01 -0.446690D+00  0.959583D+00
      5  -0.621473D+01 -0.261813D+01 -0.521326D+01  0.108190D+02  0.409834D+01
      6  -0.536906D+01  0.420941D+01 -0.730730D+01 -0.899742D+01  0.540397D+01
                11            12            13            14            15 
      1  -0.173591D+01 -0.475862D+00 -0.298415D+01 -0.370968D+00 -0.480421D+01
      2  -0.167464D+01  0.891327D+01 -0.719469D+00 -0.311304D+01  0.117870D+02
      3   0.341054D+01 -0.843741D+01  0.370362D+01  0.348400D+01 -0.698278D+01
      4  -0.170977D+02  0.633747D+01 -0.129596D+02 -0.243561D+01  0.986671D+01
      5   0.531712D+01 -0.430721D+01  0.458219D+01  0.775140D+01  0.392904D+01
      6   0.831609D+01 -0.615833D+01  0.626724D+01  0.993480D+01  0.147711D+01
                16            17            18            19            20 
      1  -0.239057D+01 -0.627635D+01 -0.422478D+01 -0.241954D-01  0.538861D+01
      2   0.861003D+01  0.147896D+02  0.969847D+01 -0.949122D-01 -0.570718D+01
      3  -0.621947D+01 -0.851325D+01 -0.547368D+01  0.119108D+00  0.318570D+00
      4   0.378448D+01  0.101457D+02 -0.362731D+01  0.946241D+01 -0.417521D+01
      5  -0.407581D+01  0.366915D+00 -0.509296D+01 -0.901038D+00  0.111245D+02
      6  -0.509061D+01  0.131228D+01 -0.343492D+01  0.114901D+02  0.545916D+00
                21            22            23            24            25 
      1   0.694139D+01  0.490767D+01  0.439639D+01 -0.108371D+01  0.110065D+02
      2   0.105783D+02 -0.621694D+01  0.104700D+01 -0.903671D+01  0.533406D+01
      3  -0.175196D+02  0.130927D+01 -0.544339D+01  0.101204D+02 -0.163405D+02
      4   0.793590D+01 -0.402041D+01 -0.691166D+01 -0.977706D+01  0.654487D+01
      5  -0.152627D+02  0.105423D+02 -0.104978D+02  0.119716D+02 -0.200286D+02
      6   0.996670D+01 -0.285265D+01 -0.827736D+01 -0.806736D+01  0.824531D+01
                26            27            28            29            30 
      1  -0.176761D+01 -0.165542D+02 -0.384338D+00  0.159991D+01 -0.927601D+01
      2  -0.598501D+01  0.101576D+02  0.812841D+01 -0.296866D+01 -0.699554D+01
      3   0.775262D+01  0.639658D+01 -0.774407D+01  0.136876D+01  0.162716D+02
      4  -0.537612D+01  0.142353D+02  0.162318D+01  0.170569D+01 -0.504262D+00
      5   0.135549D+02 -0.778646D+01 -0.643206D+00 -0.428396D+01 -0.688330D+01
      6  -0.496442D+01  0.905806D+01 -0.746822D+01  0.390045D+00 -0.298886D+01
                31            32            33            34            35 
      1   0.155439D+01  0.132333D+02  0.210996D+01 -0.120972D+02  0.279937D+01
      2  -0.451542D+01 -0.200811D+02  0.106204D+02 -0.472084D+01  0.460603D+01
      3   0.296103D+01  0.684779D+01 -0.127304D+02  0.168180D+02 -0.740540D+01
      4   0.234042D+01  0.202262D+00  0.157372D+01 -0.193582D+01 -0.293534D+00
      5  -0.523623D+01  0.633444D+01  0.213960D+01 -0.255743D+01 -0.306794D+00
      6   0.282424D+01  0.192130D+02 -0.141060D+01 -0.453607D+01  0.148253D+01
                36            37            38            39            40 
      1  -0.268763D+01 -0.341780D+02  0.264190D+01  0.990984D+00  0.910837D+01
      2   0.424083D+01  0.174889D+02 -0.290203D+01 -0.213945D-01 -0.315366D+01
      3  -0.155319D+01  0.166892D+02  0.260130D+00 -0.969589D+00 -0.595470D+01
      4  -0.349522D+01 -0.226235D+01 -0.965744D+01  0.155649D+01 -0.352959D+01
      5   0.904135D+01  0.740499D+00  0.231141D+01 -0.886195D+01  0.321598D+01
      6  -0.710226D+01  0.449492D+01 -0.136599D+01 -0.979044D+00 -0.218289D+01
                41            42            43            44            45 
      1   0.327641D+01 -0.133465D+01  0.433911D+01 -0.264329D+01  0.849131D+01
      2  -0.183808D+00 -0.223232D+01 -0.273071D+00  0.190202D+01 -0.282369D+01
      3  -0.309260D+01  0.356697D+01 -0.406604D+01  0.741275D+00 -0.566761D+01
      4   0.201470D+00 -0.211256D+01  0.153951D+01  0.889467D-01 -0.686782D+00
      5  -0.255457D+01 -0.260159D+01 -0.347307D+01 -0.195038D+01 -0.279056D+01
      6  -0.559987D+01 -0.810524D+01  0.806480D+00 -0.589438D+01 -0.668034D+00
                46            47            48            49            50 
      1  -0.173281D+02  0.759322D+01 -0.292616D+01  0.129012D+02 -0.635310D+01
      2   0.290768D+01  0.840478D-01  0.760941D-01 -0.546437D+01 -0.475757D+01
      3   0.144204D+02 -0.767727D+01  0.285007D+01 -0.743684D+01  0.111107D+02
      4   0.119416D+02 -0.215487D+01 -0.157922D+01 -0.633256D+00  0.454690D+00
      5  -0.338213D+01 -0.494723D+01  0.384624D+01 -0.423742D+01 -0.492118D+01
      6  -0.843990D+01  0.691563D+00  0.118669D+01  0.948707D+00 -0.596596D+01
                51            52            53            54            55 
      1   0.546042D+01 -0.737901D+01  0.854727D+01 -0.180836D+01  0.204313D+02
      2  -0.926341D+01  0.147369D+01 -0.129557D+02 -0.417314D+00 -0.122755D+02
      3   0.380299D+01  0.590532D+01  0.440844D+01  0.222568D+01 -0.815585D+01
      4  -0.697366D+01  0.167006D+01 -0.982611D+01  0.127255D+01  0.256295D+02
      5   0.124603D+00  0.238491D+01 -0.162778D+01  0.688692D+01  0.287633D+02
      6   0.567721D+01  0.373612D+00  0.227042D+01  0.341140D+01  0.171904D+02
                56            57            58            59            60 
      1   0.394669D+01  0.462831D+01  0.372954D+01  0.125322D+01 -0.116050D+01
      2   0.404988D+00 -0.629721D+01  0.130452D+01  0.364498D+01 -0.343212D+00
      3  -0.435168D+01  0.166890D+01 -0.503405D+01 -0.489820D+01  0.150371D+01
      4   0.179830D+02  0.139133D+02  0.156842D+02  0.138279D+02  0.820814D+01
      5   0.151624D+02  0.208294D+02  0.111489D+02  0.107191D+02  0.835111D+01
      6   0.141328D+02  0.124054D+02  0.105082D+02  0.112461D+02  0.103052D+02
                61            62            63            64            65 
      1   0.280445D+01 -0.110062D+01 -0.577873D+00 -0.802038D+01  0.887986D+01
      2  -0.450901D+01 -0.221293D+01 -0.511370D+01 -0.222050D+01 -0.364938D+01
      3   0.170455D+01  0.331355D+01  0.569157D+01  0.102409D+02 -0.523048D+01
      4   0.778293D+01  0.571063D+01  0.809691D+01 -0.298838D+01  0.263168D+01
      5   0.142101D+02  0.786934D+01  0.125175D+02 -0.540614D+01  0.354213D+01
      6   0.757789D+01  0.863132D+01  0.109202D+02  0.100263D+02 -0.873446D+01
                66            67            68            69            70 
      1   0.167307D+02  0.422269D+01 -0.827811D+01 -0.796997D+01  0.106435D+02
      2   0.379963D+01 -0.270783D+01  0.305641D+01  0.209347D+01  0.219844D+01
      3  -0.205303D+02 -0.151485D+01  0.522170D+01  0.587650D+01 -0.128419D+02
      4   0.493650D+01  0.279862D+01 -0.118487D+01 -0.187568D-01  0.406633D+01
      5   0.718900D+01  0.264445D+01 -0.124156D+01  0.283824D+00  0.636538D+01
      6  -0.141895D+02 -0.431258D+01  0.836483D+01  0.133835D+02 -0.718453D+01
                71            72            73            74            75 
      1  -0.107962D+02 -0.280498D+02 -0.322533D+01  0.107341D+02  0.124597D+01
      2   0.301902D+00 -0.946698D+01  0.139415D+02 -0.190517D+02 -0.100532D+01
      3   0.104943D+02  0.375167D+02 -0.107161D+02  0.831766D+01 -0.240647D+00
      4   0.433851D+00 -0.168803D+01 -0.155936D+02  0.111300D+02 -0.116140D+01
      5   0.849953D+00 -0.174497D+01 -0.223315D+01  0.712031D+00  0.112126D+01
      6   0.147087D+02  0.243574D+02 -0.244671D+00 -0.210172D+01 -0.444092D+01
                76            77            78            79            80 
      1   0.591377D+01 -0.100821D+02 -0.641317D-01  0.614432D+00  0.196800D+00
      2  -0.121727D+02  0.202891D+02 -0.173006D+01 -0.114327D+01 -0.129415D+01
      3   0.625897D+01 -0.102070D+02  0.179420D+01  0.528838D+00  0.109735D+01
      4   0.998860D+01 -0.801955D+01 -0.638190D+00 -0.176678D+00 -0.129934D+01
      5   0.498598D+00 -0.155110D+01 -0.452423D+00  0.248363D+01 -0.656588D+00
      6  -0.141648D+01  0.324059D+00  0.353520D+01 -0.351238D+01  0.526657D+01
                81            82            83            84            85 
      1  -0.211494D+01  0.363818D+01 -0.381205D+01 -0.307883D+00 -0.188451D+01
      2   0.148027D+01  0.820332D+01  0.155236D+02 -0.363309D+01  0.101453D+02
      3   0.634667D+00 -0.118415D+02 -0.117115D+02  0.394097D+01 -0.826076D+01
      4  -0.164444D+01  0.148164D+02  0.189838D+02 -0.630244D+01  0.147350D+02
      5   0.410190D+00 -0.440094D+01 -0.388716D+01  0.518509D+01 -0.260761D+01
      6   0.125567D+01 -0.456051D+01 -0.534153D+01  0.680370D+01 -0.376222D+01
                86            87            88            89            90 
      1  -0.115806D+02  0.340476D+01  0.208097D+00  0.574682D+01 -0.287182D+01
      2   0.301221D+02 -0.854636D+01 -0.360661D+01 -0.120854D+02  0.429254D+01
      3  -0.185414D+02  0.514161D+01  0.339852D+01  0.633860D+01 -0.142072D+01
      4   0.214349D+02 -0.685949D+01 -0.617236D+01 -0.871019D+01  0.708737D+01
      5  -0.540583D+01  0.367532D+01  0.447088D+01  0.450626D+01 -0.469222D+01
      6  -0.910082D+01  0.710659D+01  0.545195D+01  0.936884D+01 -0.746187D+01
                91            92            93            94            95 
      1  -0.268915D+01 -0.266582D+02  0.723837D+01 -0.307558D+02  0.884143D+01
      2   0.866971D+01  0.121100D+02 -0.283586D+01  0.148200D+02 -0.816026D+01
      3  -0.598055D+01  0.145481D+02 -0.440250D+01  0.159358D+02 -0.681166D+00
      4  -0.265406D+02  0.835177D+01 -0.214523D+01  0.583448D+01  0.126855D+02
      5   0.408477D+01 -0.312273D+00  0.150065D+02 -0.167196D+01  0.956012D+01
      6   0.359815D+01 -0.577242D+00 -0.230870D+01 -0.523327D+00 -0.195315D+01
                96            97            98            99           100 
      1  -0.189258D+01  0.683835D+01  0.741005D+00  0.179666D+02  0.959625D+01
      2  -0.188941D+01 -0.170193D+01 -0.540178D+01 -0.677129D+01 -0.121591D+02
      3   0.378199D+01 -0.513643D+01  0.466077D+01 -0.111953D+02  0.256284D+01
      4   0.123405D+02 -0.315494D+01  0.123791D+02 -0.649089D+01 -0.108438D+02
      5  -0.549791D+01  0.164240D+02 -0.405265D+01 -0.169763D+02  0.208481D+02
      6  -0.525237D+00 -0.278208D+01  0.101036D+01  0.388805D+01 -0.869793D+01
               101           102           103           104           105 
      1  -0.309769D+01  0.228212D+01 -0.213760D+01 -0.327767D+01  0.388012D+01
      2   0.378355D+01 -0.115048D+02  0.316580D+01 -0.113444D+01  0.393977D+01
      3  -0.685857D+00  0.922269D+01 -0.102820D+01  0.441211D+01 -0.781989D+01
      4   0.915507D+01 -0.824698D+01  0.954356D+01 -0.949828D+01  0.100178D+02
      5  -0.102878D+02  0.238128D+02 -0.104054D+02  0.118343D+02 -0.128821D+02
      6   0.643557D+01 -0.839955D+01  0.742365D+01 -0.109617D+02  0.148339D+02
               106           107           108           109           110 
      1  -0.948803D+00  0.344397D+01 -0.805466D+01 -0.811472D-01 -0.864032D+00
      2  -0.967831D+01  0.464040D+01 -0.174008D+02  0.268059D+01  0.226463D+01
      3   0.106271D+02 -0.808438D+01  0.254555D+02 -0.259944D+01 -0.140060D+01
      4  -0.633664D+01  0.731476D+01 -0.105002D+02  0.578083D+00  0.546563D+01
      5   0.206495D+02 -0.112416D+02  0.290608D+02 -0.830591D+00 -0.222854D+01
      6  -0.759220D+01  0.117907D+02 -0.151851D+02 -0.275973D+01 -0.137662D+01
               111           112           113           114           115 
      1   0.100147D+01 -0.105727D+01 -0.255713D+02  0.973330D+01  0.266791D+01
      2   0.250287D+00  0.252369D+01  0.360548D+02 -0.771920D+01  0.106988D+00
      3  -0.125175D+01 -0.146642D+01 -0.104835D+02 -0.201410D+01 -0.277490D+01
      4  -0.118055D+01  0.559707D+01  0.163208D+01 -0.124560D+01 -0.107834D+00
      5   0.299378D+01 -0.358050D+01 -0.433816D+01  0.109752D+01  0.265290D+01
      6   0.105813D+01 -0.409028D+01 -0.276479D+02  0.129313D+02  0.175418D+01
               116           117           118           119           120 
      1   0.551010D+01 -0.529403D+01  0.196664D+01 -0.114556D+01  0.463179D+01
      2  -0.237586D+01  0.320428D+01 -0.100038D+02  0.160460D+01  0.768366D+01
      3  -0.313424D+01  0.208975D+01  0.803711D+01 -0.459044D+00 -0.123155D+02
      4   0.135086D+00  0.436613D+00  0.161471D+01  0.145213D+01 -0.152167D+01
      5   0.799101D+00 -0.181796D+01 -0.123594D+02  0.122957D+01  0.130740D+02
      6   0.965021D+01 -0.611925D+01  0.123434D+00 -0.259698D+01  0.211638D+01
               121           122           123           124           125 
      1  -0.170802D+00 -0.368091D+01 -0.346631D+01  0.365675D+01 -0.452286D-01
      2   0.292057D+01  0.855290D+00 -0.493284D+01  0.769073D+01 -0.276082D+01
      3  -0.274976D+01  0.282562D+01  0.839915D+01 -0.113475D+02  0.280605D+01
      4   0.116691D+01 -0.682526D+00 -0.112229D+01 -0.161932D+01 -0.117275D+01
      5   0.440509D+01 -0.296753D+01 -0.396893D+01  0.119918D+02 -0.283081D+00
      6  -0.240625D+01  0.175736D+00  0.447406D+01  0.219886D+01  0.454184D+01
               126           127           128           129           130 
      1  -0.129422D+02  0.833012D+01  0.599787D+00  0.118005D+01  0.444077D+01
      2  -0.134543D+02 -0.309485D+01  0.868213D-01 -0.367225D+00 -0.209337D+01
      3   0.263965D+02 -0.523527D+01 -0.686609D+00 -0.812823D+00 -0.234740D+01
      4   0.185922D+01  0.152072D+01  0.300485D+01  0.193737D+01  0.423798D+01
      5  -0.137048D+02  0.208708D+01  0.151887D+01  0.291358D+01  0.216315D+01
      6  -0.192574D+01  0.267422D+01  0.113181D+01  0.171131D+01  0.127174D+01
               131           132           133           134           135 
      1  -0.885650D+01 -0.486634D+01  0.179115D+01 -0.411097D+01 -0.816560D+01
      2   0.102558D+02  0.440238D+01 -0.160812D+01  0.246692D+01  0.152929D+01
      3  -0.139927D+01  0.463955D+00 -0.183028D+00  0.164405D+01  0.663631D+01
      4   0.285755D+01  0.254065D+01  0.191287D+01  0.214387D+01  0.227457D+01
      5   0.253840D+01  0.261548D+01  0.357814D+01  0.262188D+01  0.414577D+01
      6   0.912620D+01  0.831515D+01  0.119935D+01  0.740868D+01  0.843910D+01
               136           137           138           139           140 
      1   0.202631D+02 -0.845134D+01  0.443238D+01 -0.223852D+02 -0.340611D+01
      2  -0.113466D+02  0.270741D+01 -0.205807D+01  0.123107D+02  0.498665D+01
      3  -0.891657D+01  0.574393D+01 -0.237431D+01  0.100745D+02 -0.158054D+01
      4  -0.701765D+01  0.166940D+02 -0.138054D+01  0.112172D+02 -0.379730D+01
      5   0.305410D+01 -0.112251D+01  0.146737D+02 -0.193400D+01  0.121410D+01
      6  -0.853675D+00 -0.572617D+00  0.622859D+00  0.263722D-02  0.271664D+00
               141           142           143           144           145 
      1   0.443364D+00  0.296174D+01  0.809845D+00 -0.466333D+01  0.117790D+02
      2   0.321529D+00 -0.710104D+00 -0.252598D+00  0.102314D+01 -0.155801D+01
      3  -0.764892D+00 -0.225164D+01 -0.557247D+00  0.364019D+01 -0.102210D+02
      4   0.133921D+01 -0.103385D+01 -0.407715D+00 -0.300812D+01 -0.714444D+01
      5   0.711359D+00  0.144488D+01 -0.170485D+01  0.569056D+00  0.436204D+01
      6   0.511848D+01  0.624274D+00  0.331637D+01 -0.866913D+00  0.258148D+02
               146           147           148           149           150 
      1  -0.655101D+01  0.505308D+01 -0.640701D+01  0.102597D+02  0.633926D+01
      2   0.319580D+01 -0.319127D+01  0.337383D+01  0.907850D+01  0.804064D+01
      3   0.335521D+01 -0.186182D+01  0.303318D+01 -0.193382D+02 -0.143799D+02
      4  -0.896676D+01  0.103288D+02 -0.882106D+01  0.172652D+01  0.582011D+01
      5   0.213525D+02 -0.170247D+02  0.210101D+02  0.446951D+01  0.195569D+01
      6  -0.172563D+01 -0.252356D-01 -0.154186D+01 -0.372539D+01 -0.213640D+02
               151           152           153           154           155 
      1   0.433682D+01  0.308606D+01 -0.637106D+01 -0.131062D+01  0.299478D+02
      2  -0.172684D+01  0.849737D+01 -0.490237D+01  0.126479D+01 -0.150938D+02
      3  -0.260998D+01 -0.115834D+02  0.112734D+02  0.458333D-01 -0.148540D+02
      4   0.611952D+01  0.492767D+01  0.128380D+01  0.303049D+02 -0.415387D+01
      5  -0.133243D+02  0.194766D+01 -0.366386D+01 -0.164353D+02  0.457572D+01
      6  -0.835810D-01 -0.153102D+02 -0.110988D+02 -0.910253D+00 -0.487974D+00
               156           157           158           159           160 
      1  -0.180783D+02  0.355095D+02 -0.794776D+01  0.799383D+01 -0.229256D+02
      2   0.581036D+01 -0.191594D+02  0.569740D+00 -0.431474D+01  0.535136D+01
      3   0.122679D+02 -0.163501D+02  0.737802D+01 -0.367909D+01  0.175742D+02
      4   0.481549D+01 -0.880346D+01 -0.267858D+02 -0.147512D+02  0.726455D+01
      5  -0.210047D+02  0.787808D+01 -0.139187D+02  0.592053D+01 -0.322701D+02
      6  -0.403293D+00 -0.930741D+00  0.972529D+00  0.119909D+01 -0.991636D-01
               161           162           163           164           165 
      1   0.712367D+01 -0.239161D+02  0.938944D+01  0.257686D+02 -0.813877D+01
      2  -0.375512D+01  0.198611D+02 -0.227740D+02 -0.124651D+02 -0.386046D+01
      3  -0.336855D+01  0.405501D+01  0.133846D+02 -0.133035D+02  0.119992D+02
      4  -0.153390D+02  0.473659D+01  0.219726D+02 -0.207197D+02  0.995974D+01
      5   0.502322D+01  0.328285D+02 -0.866183D+01  0.234233D+01 -0.914058D+01
      6   0.549540D+00  0.186383D+01  0.404956D+01 -0.678746D+01  0.819857D+01
               166           167           168           169           170 
      1   0.246538D+02 -0.914195D+01 -0.305495D+00 -0.108501D+02  0.150116D+01
      2  -0.121697D+02  0.773862D+01  0.987832D+01 -0.483519D+01  0.133859D+02
      3  -0.124841D+02  0.140334D+01 -0.957283D+01  0.156853D+02 -0.148871D+02
      4  -0.174617D+02 -0.624960D+01 -0.140758D+02  0.125523D+02 -0.171672D+02
      5   0.206639D+01 -0.115792D+02  0.230182D+01 -0.131131D+02  0.765862D+01
      6  -0.559770D+01  0.123343D+02 -0.129331D+00  0.112518D+02 -0.453640D+01
               171           172           173           174           175 
      1  -0.388149D+01 -0.557899D+01  0.775255D+01 -0.120753D+02  0.628898D+01
      2   0.113304D+02 -0.831842D+00 -0.379901D+01 -0.345976D+01 -0.371578D+01
      3  -0.744890D+01  0.641083D+01 -0.395354D+01  0.155350D+02 -0.257321D+01
      4   0.131613D+02 -0.718210D+01  0.556512D+01 -0.466382D+01  0.612621D+01
      5   0.252850D+02  0.182606D+02 -0.101426D+02  0.120646D+02 -0.107880D+02
      6  -0.193223D+02 -0.144675D+02  0.124902D+02 -0.114370D+02  0.101617D+02
               176           177           178           179           180 
      1  -0.107266D+02  0.862730D+01 -0.599277D+01  0.481502D+01 -0.880489D+01
      2   0.576690D+01 -0.107638D+01 -0.249382D+01  0.353710D-01 -0.300177D+01
      3   0.495967D+01 -0.755092D+01  0.848659D+01 -0.485039D+01  0.118067D+02
      4  -0.382897D+01  0.124546D+01 -0.253400D+01  0.114473D+01 -0.231900D+01
      5   0.547858D+01 -0.481812D+01  0.805962D+01 -0.371530D+01  0.761017D+01
      6  -0.136956D+02  0.144718D+02 -0.648711D+01  0.886545D+01 -0.838801D+01
               181           182           183           184           185 
      1   0.744801D+01 -0.532364D+00  0.460019D+01  0.719190D+00 -0.520732D+01
      2  -0.731314D+01  0.127358D+00  0.731783D+01  0.485524D-02  0.269439D+01
      3  -0.134868D+00  0.405006D+00 -0.119180D+02 -0.724045D+00  0.251293D+01
      4   0.136677D+02  0.109168D+02 -0.844510D+01  0.104576D+02  0.979175D+01
      5  -0.237298D+02 -0.135385D+02  0.192683D+02 -0.133245D+02 -0.104195D+02
      6  -0.134120D+02 -0.115392D+02  0.109323D+02 -0.921146D+01 -0.129170D+02
               186           187           188           189           190 
      1   0.543772D+01  0.195076D+01  0.267248D+01 -0.396029D+01 -0.223173D+01
      2   0.730049D+00  0.472752D+01  0.119510D+01 -0.563794D+01 -0.164855D+01
      3  -0.616776D+01 -0.667828D+01 -0.386758D+01  0.959823D+01  0.388028D+01
      4  -0.680985D+01 -0.460063D+01 -0.403941D+01  0.544762D+01 -0.155748D+00
      5   0.917914D+01  0.131408D+02  0.649831D+01 -0.123664D+02 -0.797944D+00
      6   0.137377D+02  0.662455D+01  0.887596D+01 -0.806458D+01  0.554467D+00
               191           192           193           194           195 
      1  -0.544163D+00 -0.236151D+01 -0.111804D+01 -0.897976D+01 -0.147585D+02
      2  -0.413325D+00  0.304519D+00 -0.279248D+00 -0.390143D+01 -0.115237D+02
      3   0.957488D+00  0.205699D+01  0.139728D+01  0.128812D+02  0.262822D+02
      4   0.293873D+01 -0.144079D+00  0.277331D+01 -0.576928D+01 -0.317608D+01
      5   0.136812D+01  0.691096D+01  0.382459D+01 -0.279898D+01 -0.473704D+01
      6   0.948314D+00  0.604814D+00  0.686706D+00  0.209337D+02  0.158640D+02
               196           197           198           199           200 
      1  -0.140415D+01 -0.735690D+01 -0.139055D+02  0.324618D+01  0.560046D+01
      2   0.249442D+00 -0.711639D+01 -0.129960D+02  0.386361D+00 -0.639770D+00
      3   0.115471D+01  0.144733D+02  0.269016D+02 -0.363254D+01 -0.496069D+01
      4  -0.299583D-01 -0.254378D+01 -0.305838D+01  0.656592D+01  0.103857D+02
      5   0.561201D+01 -0.268704D+01 -0.458674D+01  0.366430D+01  0.635326D+00
      6   0.235027D+00  0.127494D+02  0.124699D+02  0.628946D+00  0.632825D-01
               201           202           203           204           205 
      1   0.421409D+01  0.155575D+02  0.414423D+01 -0.170273D+01  0.846404D+01
      2  -0.163365D+01 -0.514584D+01  0.914785D+01  0.223172D+01 -0.332125D+01
      3  -0.258043D+01 -0.104117D+02 -0.132921D+02 -0.528998D+00 -0.514279D+01
      4   0.115181D+01  0.177505D+02  0.424096D+02  0.728914D+01  0.210047D+01
      5   0.312199D+01 -0.416658D+00  0.701259D+01  0.726891D+01  0.584197D+01
      6   0.382565D+00 -0.591948D+00 -0.280235D+00  0.357179D+01  0.520875D+00
               206           207           208           209           210 
      1  -0.258178D+00  0.176095D+01  0.636969D+02 -0.160631D+02  0.176482D+02
      2   0.116731D+01 -0.145565D+01 -0.316716D+02  0.736714D+01 -0.910086D+01
      3  -0.909133D+00 -0.305298D+00 -0.320253D+02  0.869595D+01 -0.854730D+01
      4   0.839077D+01  0.526901D+01 -0.171075D+02  0.119523D+02 -0.477561D+01
      5   0.541098D+01  0.917573D+00  0.188074D+02 -0.490201D+01  0.148636D+02
      6   0.322586D+01  0.135936D+01 -0.475467D+00  0.495754D+00 -0.332044D+00
               211           212           213           214           215 
      1  -0.313907D+02  0.123627D+02 -0.668998D+01  0.323689D+02 -0.666208D+01
      2   0.146158D+02 -0.345480D+01  0.334829D+01 -0.168071D+02  0.332531D+01
      3   0.167749D+02 -0.890787D+01  0.334169D+01 -0.155618D+02  0.333677D+01
      4   0.177850D+02 -0.116698D+02  0.734146D+01 -0.810773D+01  0.957554D+01
      5  -0.813833D+01  0.713833D+01 -0.871856D+01  0.223701D+02 -0.646228D+01
      6   0.137118D+01 -0.122771D+01  0.171729D+01 -0.127672D+01  0.189017D+01
               216           217           218           219           220 
      1   0.159316D+02  0.174558D+02 -0.201779D+01 -0.112742D+02 -0.546149D+01
      2  -0.109919D+02 -0.124109D+02  0.107112D+01  0.880673D+01  0.332083D+01
      3  -0.493975D+01 -0.504491D+01  0.946670D+00  0.246744D+01  0.214066D+01
      4  -0.599603D+01 -0.151880D+01  0.365215D+01 -0.141425D+01  0.659894D+01
      5   0.125412D+02 -0.150727D+02 -0.977425D+00  0.189275D+02  0.207362D+00
      6  -0.167220D+01 -0.682605D+00 -0.958535D+00  0.823709D+00 -0.215649D+01
               221           222           223           224           225 
      1   0.248205D+01 -0.260156D+00 -0.230721D+02 -0.177434D+01  0.131005D+02
      2  -0.159308D+01 -0.170100D+00  0.183052D+02  0.983418D+00 -0.219215D+02
      3  -0.888970D+00  0.430255D+00  0.476689D+01  0.790925D+00  0.882091D+01
      4   0.193685D+01 -0.523605D+01 -0.237461D+01 -0.708451D+01  0.886855D-01
      5  -0.479570D+01 -0.226196D+01  0.320204D+02 -0.100547D+00 -0.487205D+02
      6   0.174002D+00  0.414045D+01  0.908791D+00  0.422905D+01 -0.272479D+01
               226           227           228           229           230 
      1  -0.153306D+02 -0.183136D+02  0.163813D+00 -0.135315D+02 -0.179890D+02
      2   0.152966D+02  0.219604D+02  0.721057D+00  0.146481D+02  0.251301D+02
      3   0.339215D-01 -0.364680D+01 -0.884870D+00 -0.111654D+01 -0.714106D+01
      4   0.919394D+01  0.118808D+01 -0.274829D+01  0.613394D+01 -0.429951D+00
      5   0.525891D+01  0.972773D+00 -0.527245D+00  0.195921D+01  0.273396D+01
      6  -0.398958D+00  0.417152D+01  0.407999D+01  0.184320D+01  0.185593D+01
               231           232           233           234           235 
      1  -0.340211D+00  0.238971D+01  0.551533D+00 -0.364970D+01  0.366799D+01
      2  -0.947473D+00 -0.159754D+00 -0.349187D+01  0.186338D+01 -0.214728D+01
      3   0.128768D+01 -0.222995D+01  0.294034D+01  0.178632D+01 -0.152071D+01
      4   0.873575D+00 -0.255375D+01  0.327771D+01 -0.306746D+00 -0.746271D+01
      5  -0.888897D+00  0.113045D+01 -0.151762D+01 -0.168889D+01 -0.811765D+01
      6   0.383586D+01  0.193124D+01  0.415474D+01  0.139274D+01  0.430871D+01
               236           237           238           239           240 
      1  -0.295070D+01 -0.388952D+01 -0.487870D+00 -0.215374D+01 -0.327385D+01
      2   0.424755D+00  0.505916D+01 -0.822759D+00  0.117439D+01  0.356788D+01
      3   0.252595D+01 -0.116963D+01  0.131063D+01  0.979349D+00 -0.294027D+00
      4   0.750048D+01  0.518417D+01  0.427459D+01 -0.254275D+01 -0.389567D+01
      5   0.333431D+01  0.121022D+02  0.400833D+00 -0.376583D+01 -0.255650D+01
      6  -0.206966D+01 -0.669768D+01 -0.145614D+01  0.407199D+01  0.788903D+01
               241           242           243           244           245 
      1  -0.395702D+01 -0.532089D+01 -0.882838D+01  0.243042D+02 -0.121631D+02
      2   0.592709D+01  0.432925D+01 -0.120418D+02  0.103614D+01 -0.826265D+01
      3  -0.197007D+01  0.991642D+00  0.208701D+02 -0.253403D+02  0.204258D+02
      4   0.834844D+01 -0.104195D+02 -0.135788D+02 -0.355913D+02  0.324706D+02
      5   0.156847D+02 -0.109552D+02 -0.344644D+02  0.552496D+01 -0.311753D+01
      6  -0.965702D+01  0.145325D+02  0.296477D+02 -0.507809D+01  0.341339D+01
               246           247           248           249           250 
      1   0.601521D+01 -0.835494D+01  0.299338D+01 -0.667933D+00  0.100889D+02
      2   0.606256D+00 -0.719477D+01  0.164577D+02 -0.447211D+01  0.998585D+00
      3  -0.662146D+01  0.155497D+02 -0.194511D+02  0.514004D+01 -0.110875D+02
      4  -0.823415D+01  0.246771D+02 -0.281244D+02  0.808590D+01 -0.162339D+02
      5   0.800368D+01 -0.252597D+01  0.511932D+01 -0.388295D+01  0.924250D+01
      6  -0.713762D+01  0.353359D+01 -0.516198D+01  0.523429D+01 -0.779858D+01
               251           252           253           254           255 
      1  -0.219627D+01  0.363306D+01 -0.649014D+01  0.133384D+02 -0.213940D+01
      2  -0.888998D+01  0.143786D+00  0.311478D+01 -0.333975D+01  0.140974D+01
      3   0.110862D+02 -0.377684D+01  0.337536D+01 -0.999864D+01  0.729655D+00
      4   0.177303D+02 -0.108278D+02  0.170967D+02 -0.149375D+02 -0.710446D+00
      5  -0.741260D+01  0.531486D+01 -0.209635D+01 -0.557820D+00 -0.169642D+02
      6   0.786389D+01 -0.525140D+01  0.509992D+00 -0.274539D+00  0.222501D+01
               256           257           258           259           260 
      1  -0.418223D+01 -0.112689D+01 -0.239014D+01 -0.536879D+00 -0.819236D+00
      2  -0.537035D+00 -0.111031D+02  0.235229D+00  0.684155D-01  0.198027D+01
      3   0.471926D+01  0.122300D+02  0.215491D+01  0.468463D+00 -0.116104D+01
      4  -0.281895D+02 -0.437847D+02  0.233314D+01  0.215136D+01  0.402086D+01
      5   0.106012D+01  0.207125D+01 -0.121036D+02  0.622332D+01 -0.472136D+01
      6  -0.103320D+01  0.639899D+00 -0.876759D+01  0.107611D+01  0.426755D+01
               261           262           263           264           265 
      1  -0.204872D+01 -0.269536D+02 -0.365477D+02  0.363979D+01 -0.540900D+02
      2  -0.638142D+01  0.180224D+02  0.164777D+02 -0.229967D+01  0.260074D+02
      3   0.843014D+01  0.893119D+01  0.200700D+02 -0.134012D+01  0.280826D+02
      4  -0.451073D+01 -0.402684D+02  0.726261D+01  0.128504D+01 -0.739761D+01
      5   0.365272D+01  0.368330D+01  0.113705D+01  0.586366D+01  0.130703D+01
      6   0.201988D+01 -0.112824D+01 -0.459990D+00 -0.228593D+01 -0.127835D+00
               266           267           268           269           270 
      1  -0.490685D+01  0.217724D+01  0.577700D+01  0.218097D+01  0.456071D+01
      2   0.396849D+01 -0.365103D+01 -0.199338D+01 -0.424721D+01 -0.508849D+01
      3   0.938365D+00  0.147379D+01 -0.378363D+01  0.206624D+01  0.527779D+00
      4   0.209869D+02  0.335826D+01  0.175742D+01  0.431297D+01  0.367654D+02
      5   0.376898D+01  0.315869D+02 -0.915071D+01  0.388919D+02 -0.883912D+01
      6  -0.207617D+01 -0.109650D+02  0.576597D+01 -0.149079D+02  0.297996D+01
               271           272           273           274           275 
      1   0.162807D+02  0.112724D+02 -0.168256D+01  0.428039D+02 -0.111880D+02
      2  -0.555109D+01 -0.359579D+01  0.598948D+00 -0.134451D+02  0.329116D+02
      3  -0.107296D+02 -0.767665D+01  0.108361D+01 -0.293588D+02 -0.217236D+02
      4   0.178875D+02  0.208722D+02 -0.487445D+00  0.364183D+02  0.760272D+02
      5  -0.124244D+01 -0.444931D+00  0.104572D+02 -0.987247D-01 -0.299653D+01
      6  -0.347770D+00  0.125842D+00  0.505133D+00  0.109122D+01 -0.278187D+00
               276           277           278           279           280 
      1   0.209567D+01 -0.353886D+01  0.106082D+01  0.237490D+00  0.787506D+01
      2  -0.110637D+01  0.173345D+01 -0.150501D+01  0.781801D+00 -0.471258D+01
      3  -0.989304D+00  0.180541D+01  0.444193D+00 -0.101929D+01 -0.316248D+01
      4  -0.303837D+01 -0.144860D+01 -0.438166D+01  0.167563D+02 -0.183471D+01
      5   0.172589D+02  0.137242D+02  0.157422D+02 -0.445381D+01  0.703458D+01
      6   0.147211D+02  0.357460D+01  0.113257D+02 -0.209677D+01 -0.303644D+01
               281           282           283           284           285 
      1  -0.236512D+01  0.762832D+01 -0.825048D+01  0.708405D+00  0.177914D+01
      2   0.127831D+01 -0.354847D+01  0.285050D+01  0.427421D+01 -0.216940D+01
      3   0.108681D+01 -0.407985D+01  0.539998D+01 -0.498261D+01  0.390256D+00
      4   0.236149D+01 -0.326582D+01  0.148927D+02 -0.286212D+02  0.155058D+02
      5  -0.270584D+01  0.443276D+01 -0.661834D+01  0.159687D+02 -0.214509D+02
      6   0.203805D+00 -0.189702D+00  0.322273D+01 -0.926298D+01  0.108858D+02
               286           287           288           289           290 
      1   0.185488D+02 -0.546175D+00 -0.196628D+01  0.990531D+02  0.198914D+02
      2  -0.105308D+02 -0.352681D+00 -0.502887D+01 -0.526104D+02 -0.114007D+02
      3  -0.801805D+01  0.898856D+00  0.699515D+01 -0.464427D+02 -0.849072D+01
      4  -0.128087D+02  0.214457D+02 -0.235547D+02  0.147195D+02  0.141299D+02
      5   0.177054D+02 -0.250623D+02  0.409382D+02 -0.158582D+01 -0.327659D+00
      6  -0.550249D+01  0.126199D+02 -0.147780D+02  0.853176D+00  0.333602D+00
               291           292           293           294           295 
      1  -0.245905D+01  0.420713D+02  0.155449D+02 -0.847026D+00 -0.528410D+01
      2   0.123552D+01 -0.223382D+02 -0.750278D+01  0.656755D+00  0.277296D+01
      3   0.122353D+01 -0.197332D+02 -0.804217D+01  0.190271D+00  0.251114D+01
      4  -0.369787D+00  0.173302D+02  0.134896D+02 -0.100136D+01 -0.421786D+00
      5   0.127600D+02 -0.462786D+00 -0.923783D+00  0.397757D+01  0.142654D+02
      6  -0.745782D+00  0.413625D+00  0.428033D+00  0.190715D+01 -0.217078D+00
               296           297           298           299           300 
      1  -0.800025D+00  0.978075D+01  0.657523D+01 -0.325408D+01 -0.693896D+01
      2   0.810213D+00 -0.592709D+01 -0.295752D+01  0.187509D+01  0.318408D+01
      3  -0.101872D-01 -0.385366D+01 -0.361771D+01  0.137898D+01  0.375489D+01
      4  -0.147549D+01 -0.381580D+00 -0.202077D+01  0.187604D+01  0.245347D+01
      5  -0.173542D-01 -0.735610D+00 -0.597320D+01  0.176372D+01  0.222376D+01
      6   0.270541D+01 -0.180158D+00  0.309037D+01  0.276076D+00  0.311777D+00
               301           302           303           304           305 
      1  -0.104273D+02 -0.530951D+00 -0.309523D+01 -0.170675D+02 -0.680876D+00
      2   0.307823D+01  0.904755D+01  0.507346D+01  0.821883D+01  0.385654D+01
      3   0.734912D+01 -0.851660D+01 -0.197824D+01  0.884871D+01 -0.317567D+01
      4   0.166912D+02 -0.367545D+02 -0.167688D+02  0.115548D+02 -0.235571D+02
      5   0.513229D+01 -0.176968D+02 -0.213127D+02  0.132625D+02 -0.242361D+02
      6  -0.295294D+01  0.103284D+02  0.103332D+02 -0.469418D+01  0.122541D+02
               306 
      1  -0.236886D+01
      2  -0.460461D+00
      3   0.282932D+01
      4  -0.226498D+02
      5  -0.291621D+02
      6   0.118759D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.792518D+00      0.201438D+01      0.671925D+01
   x         -0.399882D+00     -0.101640D+01     -0.339034D+01
   y         -0.682884D+00     -0.173572D+01     -0.578973D+01
   z          0.429923D-01      0.109275D+00      0.364504D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139650D+03      0.206939D+02      0.230251D+02
   aniso      0.286901D+02      0.425143D+01      0.473036D+01
   xx         0.158276D+03      0.234541D+02      0.260962D+02
   yx        -0.240980D+01     -0.357096D+00     -0.397323D+00
   yy         0.133105D+03      0.197241D+02      0.219461D+02
   zx        -0.747736D+00     -0.110803D+00     -0.123285D+00
   zy        -0.361990D+00     -0.536414D-01     -0.596841D-01
   zz         0.127568D+03      0.189036D+02      0.210331D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.144746D+03      0.214492D+02      0.238654D+02
   aniso      0.301016D+02      0.446060D+01      0.496309D+01
   xx         0.164328D+03      0.243509D+02      0.270941D+02
   yx        -0.218353D+01     -0.323566D+00     -0.360016D+00
   yy         0.137947D+03      0.204417D+02      0.227444D+02
   zx        -0.748957D+00     -0.110984D+00     -0.123486D+00
   zy        -0.399449D+00     -0.591922D-01     -0.658602D-01
   zz         0.131963D+03      0.195549D+02      0.217577D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.34695539         -2.31069830          3.00693544
     6          0.03945243         -0.67474234          3.50351449
     6         -3.51318183         -1.05140682          0.65840305
     6         -1.76681862         -1.66169624         -1.58772636
     6          0.53733811          0.07168775         -1.10622672
     6         -0.05989549          1.37756853          1.42362544
     1         -3.63933844         -2.27305025          4.60982776
     1         -1.88515324         -4.28626128          2.64759821
     1          1.78335553         -1.75617724          3.39220290
     1         -0.01086082          0.20118038          5.36677333
     6         -2.97942034          1.79879542          1.12318670
     1         -5.49063769         -1.53145194          0.33654259
     1         -2.62723785         -1.25132595         -3.40940302
     1         -1.20422537         -3.64270666         -1.61150070
     1          0.76715778          1.44793784         -2.61387263
     8          2.90101757         -1.28117164         -0.91875038
     6          1.56922386          3.67089415          1.94901378
     6         -4.25097632          2.86656971          3.49082437
     6         -3.73912729          3.51006932         -1.08623449
     1          3.55697880          3.13338197          2.08104736
     1          1.04425832          4.56627264          3.73147236
     1          1.39916625          5.07814373          0.44897471
     1         -3.77933215          1.84906818          5.21222330
     1         -6.30279431          2.80858322          3.27245649
     1         -3.71932848          4.84102964          3.76701742
     1         -2.99857373          2.90837450         -2.90629655
     1         -3.09662191          5.44331854         -0.75827108
     1         -5.79583413          3.56853285         -1.24864692
     6          3.96889239         -2.01437686         -3.10785903
     6          6.42230969         -3.37242435         -2.63578167
     8          3.05601585         -1.62477918         -5.15752291
     1          7.70758109         -2.16007553         -1.57472492
     1          7.27041796         -3.90321399         -4.42796785
     1          6.07971368         -5.05539624         -1.49529810

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.792518D+00      0.201438D+01      0.671925D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.792518D+00      0.201438D+01      0.671925D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139650D+03      0.206939D+02      0.230251D+02
   aniso      0.286901D+02      0.425143D+01      0.473036D+01
   xx         0.147263D+03      0.218221D+02      0.242804D+02
   yx        -0.114901D+02     -0.170266D+01     -0.189447D+01
   yy         0.134209D+03      0.198878D+02      0.221281D+02
   zx        -0.838645D+01     -0.124274D+01     -0.138274D+01
   zy         0.508694D+01      0.753806D+00      0.838722D+00
   zz         0.137477D+03      0.203719D+02      0.226668D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.144746D+03      0.214492D+02      0.238654D+02
   aniso      0.301016D+02      0.446060D+01      0.496309D+01
   xx         0.152561D+03      0.226071D+02      0.251538D+02
   yx        -0.119665D+02     -0.177326D+01     -0.197301D+01
   yy         0.138852D+03      0.205758D+02      0.228936D+02
   zx        -0.894514D+01     -0.132553D+01     -0.147485D+01
   zy         0.539220D+01      0.799042D+00      0.889054D+00
   zz         0.142826D+03      0.211646D+02      0.235488D+02

 ----------------------------------------------------------------------
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 THE PROBLEM WITH THE LADDER OF SUCCESS IS YOU CAN'T
 CLIMB IT WHILE YOU'RE TWIDDLING YOUR THUMBS.
 Job cpu time:       0 days 14 hours  0 minutes 57.8 seconds.
 Elapsed time:       0 days  1 hours 45 minutes 47.0 seconds.
 File lengths (MBytes):  RWF=    594 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 14:55:53 2021.
